data_2kkm_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 2kkm _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.226 -0.136 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -63.66 -27.74 69.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.957 0.408 . . . . 0.0 109.935 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.428 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 2.3 mp0 -91.55 -51.58 5.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.16 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.425 ' HG ' HD11 ' A' ' 121' ' ' LEU . 7.2 mp -70.67 -45.7 64.6 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -171.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -27.42 68.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.033 0.444 . . . . 0.0 110.785 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.428 ' NH2' ' HA ' ' A' ' 20' ' ' GLU . 36.5 ttp180 -62.99 -47.43 83.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.38 177.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.3 t -69.51 -40.14 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.307 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 25' ' ' LYS . 13.0 tmtt? -58.72 -40.49 83.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.536 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.425 ' O ' HG22 ' A' ' 30' ' ' VAL . 76.3 t80 -60.62 -53.09 61.65 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.294 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.475 ' O ' HG21 ' A' ' 31' ' ' VAL . 55.9 mtt -56.15 -46.59 79.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.863 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -58.1 -54.95 41.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.953 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.15 -38.95 80.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.293 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 26' ' ' PHE . 49.4 t -60.7 -41.49 88.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.251 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 27' ' ' MET . 58.8 t -73.4 -37.83 51.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.056 0.455 . . . . 0.0 110.694 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.406 ' OD1' ' HG3' ' A' ' 112' ' ' ARG . 5.8 m-20 -79.22 -17.56 54.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.29 -173.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.558 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 75.6 p -100.63 166.4 10.92 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.71 1.35 6.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.7 0.286 . . . . 0.0 110.868 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.5 m -54.99 -55.38 31.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.332 175.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -136.91 29.38 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.287 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 33' ' ' SER . 8.1 tmtm? -57.73 -32.52 67.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.715 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.91 -16.51 72.6 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.719 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -102.51 113.8 65.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.05 0.452 . . . . 0.0 109.987 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -76.59 -45.61 0.19 Allowed 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.282 1.988 . . . . 0.0 112.475 -178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.436 ' CG2' ' HA ' ' A' ' 103' ' ' SER . 35.5 mm -130.67 151.15 35.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.716 -175.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.669 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 98.7 m-85 -116.47 -170.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.834 0.349 . . . . 0.0 110.401 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -133.04 -171.64 2.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.98 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.689 ' O ' ' HB ' ' A' ' 47' ' ' THR . 15.6 m170 -78.7 -18.66 53.98 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -177.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.05 -42.39 66.34 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 173.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -68.65 -22.73 64.39 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.206 173.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.689 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 22.9 m -55.26 -63.54 1.13 Allowed 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.042 172.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.491 ' HD2' ' HD3' ' A' ' 132' ' ' LYS . 54.6 ttt85 -57.7 -38.71 75.68 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.655 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.19 -57.05 10.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.994 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -77.12 -38.02 52.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.816 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.9 mm -61.98 -47.94 90.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.693 0.283 . . . . 0.0 111.01 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -65.29 -39.51 92.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.597 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.5 m -61.27 -38.55 87.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.742 0.306 . . . . 0.0 110.883 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -63.52 -41.35 98.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.824 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.3 mt -75.38 -52.89 17.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.048 0.451 . . . . 0.0 110.544 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -71.94 -1.39 14.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.269 -173.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -53.75 -25.03 16.94 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.117 0.485 . . . . 0.0 110.309 170.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -62.43 -31.81 72.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.292 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.12 -31.77 66.33 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.465 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.8 m -63.94 -35.37 80.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.363 0.601 . . . . 0.0 109.785 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.65 -39.0 38.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.747 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.463 HD11 HD13 ' A' ' 65' ' ' LEU . 47.4 tp -64.01 -30.8 71.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.338 177.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.2 -34.31 74.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.32 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -66.91 -31.13 71.52 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.449 176.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.496 HD23 ' HG2' ' A' ' 75' ' ' PRO . 79.7 mt . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.496 ' HG2' HD23 ' A' ' 65' ' ' LEU . 3.9 Cg_exo . . . . . 0 N--CA 1.459 -0.518 0 N-CA-C 111.287 -0.313 . . . . 0.0 111.287 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.9 m -51.6 -42.78 62.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.154 -174.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -88.88 -49.8 6.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.587 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 78' ' ' ARG . 50.3 mtt180 -71.73 -27.56 63.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -169.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.411 ' HG3' HD12 ' A' ' 62' ' ' LEU . 53.3 tt0 -68.25 -33.61 74.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.148 0.499 . . . . 0.0 109.852 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 61.4 t -77.0 -45.48 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.93 176.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.3 tp -57.3 -41.77 80.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.297 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.05 -44.74 94.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.63 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 53.4 tt0 -67.2 -31.66 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.117 0.484 . . . . 0.0 110.908 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 96.5 mt-30 -66.46 -32.18 73.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.096 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -67.07 -36.47 82.09 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.408 ' HB3' ' O ' ' A' ' 83' ' ' GLN . 32.2 ttm180 -56.65 -46.11 81.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.379 176.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -56.69 -42.88 79.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.633 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -65.29 -47.61 76.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.396 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.87 -41.01 97.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.318 . . . . 0.0 111.056 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.9 mt -66.58 -31.45 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.649 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -69.98 -35.36 74.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.344 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -71.29 -37.18 71.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.758 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.685 ' HD1' ' HB2' ' A' ' 97' ' ' PHE . 41.5 t80 -64.43 -40.22 95.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.233 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.86 -20.71 65.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.651 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -99.48 16.88 21.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.374 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.06 94.12 1.18 Allowed Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.698 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.685 ' HB2' ' HD1' ' A' ' 93' ' ' PHE . 3.3 t80 -75.39 143.21 42.89 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 44.5 tp -73.73 94.15 2.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.141 0.496 . . . . 0.0 109.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 44.2 t -128.04 145.75 56.54 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.607 -175.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.601 ' HB3' HD22 ' A' ' 107' ' ' ASN . 18.1 Cg_exo -65.11 151.41 85.72 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.977 1.784 . . . . 0.0 110.107 169.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -63.7 -29.83 71.0 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.669 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 10.9 tp 73.75 1.67 4.0 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.841 170.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.436 ' HA ' ' CG2' ' A' ' 41' ' ' ILE . 57.8 m -116.16 -13.11 11.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.033 0.444 . . . . 0.0 111.57 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.493 ' O ' ' HG2' ' A' ' 108' ' ' MET . 12.0 t70 -83.8 119.62 25.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.049 176.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.46 -19.98 62.15 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -173.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -74.09 -50.11 21.01 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.601 HD22 ' HB3' ' A' ' 100' ' ' PRO . 43.2 t30 -58.35 -45.29 88.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.622 176.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.523 ' SD ' HD11 ' A' ' 102' ' ' LEU . 91.3 mmm -64.31 -29.99 71.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.006 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -78.34 -38.21 42.64 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.04 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -63.16 -39.74 95.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.037 0.446 . . . . 0.0 109.92 171.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.65 -35.69 74.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.224 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.406 ' HG3' ' OD1' ' A' ' 32' ' ' ASN . 51.1 ttp180 -70.51 -31.76 68.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.988 176.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -97.62 19.44 13.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.798 -173.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.592 ' HA ' HD11 ' A' ' 120' ' ' LEU . 45.1 t90 -72.18 103.4 3.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.18 0.514 . . . . 0.0 110.296 176.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -93.24 36.37 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.597 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 68.95 39.48 85.11 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.471 -0.871 . . . . 0.0 111.01 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.721 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 7.6 m -98.49 131.09 45.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.536 -0.332 . . . . 0.0 110.627 -175.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -79.0 -39.63 33.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.504 -177.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.6 -26.78 72.08 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.072 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.721 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 0.9 OUTLIER -68.15 -20.73 64.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.261 0.553 . . . . 0.0 109.987 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.425 HD11 ' HG ' ' A' ' 21' ' ' LEU . 97.1 mt -77.12 -2.57 34.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.735 -178.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -106.86 -22.69 12.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.263 0.554 . . . . 0.0 109.654 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 48.4 p -88.73 -12.62 41.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.882 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 120' ' ' LEU . 79.7 mt -76.07 153.59 36.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.664 177.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 125' ' ' ARG . 21.3 ttt180 -83.93 73.41 10.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.649 0.738 . . . . 0.0 109.234 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 83.9 mt -97.98 127.84 44.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.568 -176.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 19.6 pt -129.02 -179.25 2.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.998 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.472 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 10.7 mtp180 -100.32 116.52 32.48 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 176.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.547 HG23 HG21 ' A' ' 47' ' ' THR . 40.6 mt -114.9 132.44 64.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.31 -175.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -113.87 135.7 53.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.311 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.404 ' OD2' ' HG2' ' A' ' 132' ' ' LYS . 29.3 t0 56.98 -93.76 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 169.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.491 ' HD3' ' HD2' ' A' ' 48' ' ' ARG . 43.7 mmtm -101.23 14.93 30.43 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -171.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.661 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 103.47 32.39 4.56 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 119.876 -1.154 . . . . 0.0 111.166 -176.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -84.4 141.99 30.45 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -177.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -78.2 113.92 16.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.62 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.472 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 59.5 t -93.92 115.39 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.344 178.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.2 m . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.116 177.888 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.41 HG21 ' HB2' ' A' ' 22' ' ' ALA . 9.2 p . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 120.64 0.257 . . . . 0.0 111.495 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -53.43 -31.11 43.78 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.027 0.442 . . . . 0.0 110.441 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.598 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 44.9 mm-40 -95.11 -35.66 11.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.028 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.42 ' N ' HD13 ' A' ' 21' ' ' LEU . 5.9 mp -83.12 -26.81 30.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -170.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.41 ' HB2' HG21 ' A' ' 18' ' ' VAL . . . -56.5 -30.21 62.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.164 0.507 . . . . 0.0 110.909 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.598 ' NH2' ' HA ' ' A' ' 20' ' ' GLU . 2.2 ptp180 -75.82 -35.38 60.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.524 -177.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.43 -41.02 42.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.009 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -67.56 -35.8 79.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.303 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.499 ' O ' HG23 ' A' ' 30' ' ' VAL . 83.3 t80 -61.16 -49.27 77.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.365 176.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.6 mtt -58.04 -41.78 83.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.881 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -61.01 -44.96 96.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.979 0.419 . . . . 0.0 110.857 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -61.66 -44.11 97.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.446 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.784 HG11 ' HB2' ' A' ' 36' ' ' PHE . 58.9 t -68.8 -39.44 80.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.068 -174.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.0 m -74.02 -27.36 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 120.929 0.395 . . . . 0.0 111.506 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -84.11 -20.7 32.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.258 0.552 . . . . 0.0 110.655 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 36.8 t -89.93 159.91 16.69 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.718 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -72.13 -5.0 32.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.64 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.457 HG21 ' HD2' ' A' ' 36' ' ' PHE . 72.0 m -52.9 -56.48 15.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.728 174.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.784 ' HB2' HG11 ' A' ' 30' ' ' VAL . 10.4 m-85 -136.36 25.96 3.18 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 33' ' ' SER . 36.4 ttpt -66.89 -12.6 59.89 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.432 0.634 . . . . 0.0 110.0 176.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.36 -20.45 76.85 Favored Glycine 0 C--N 1.334 0.428 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.23 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -116.06 97.3 49.15 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 120.54 0.21 . . . . 0.0 110.508 176.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.24 -28.32 72.68 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.371 2.047 . . . . 0.0 111.147 175.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 102' ' ' LEU . 33.7 mm -124.36 130.38 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.342 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -90.07 142.08 28.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.439 0.638 . . . . 0.0 111.816 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -82.85 173.24 12.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.364 172.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.647 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 25.2 m170 -86.94 -14.35 42.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.573 -173.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.2 -49.01 60.43 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 172.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -69.03 -22.09 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.375 174.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.534 ' OG1' ' HA ' ' A' ' 44' ' ' HIS . 53.8 m -58.92 -54.81 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 171.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -60.09 -40.06 88.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.07 0.462 . . . . 0.0 110.024 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.41 -49.35 76.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.602 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -69.04 -46.56 67.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.619 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 47' ' ' THR . 68.9 mt -58.45 -49.44 82.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.956 0.408 . . . . 0.0 110.892 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -64.9 -35.25 80.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.757 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.7 t -66.52 -33.21 75.17 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.103 0.477 . . . . 0.0 110.242 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -62.37 -47.63 83.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.189 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.4 mt -74.29 -17.43 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 121.711 0.767 . . . . 0.0 110.286 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.833 ' HA ' HH21 ' A' ' 86' ' ' ARG . 33.2 tt0 -80.57 -21.82 41.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.595 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.599 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 3.5 tmt_? -59.4 -23.98 63.07 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.65 178.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -68.39 -9.29 47.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.124 -0.36 . . . . 0.0 111.698 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -30.71 70.86 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.8 m -63.71 -37.9 89.07 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.26 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.72 -45.72 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.118 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.2 tp -64.49 -33.5 76.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.839 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.86 -44.13 97.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.708 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -69.4 -27.67 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.179 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 121.345 0.593 . . . . 0.0 109.691 173.577 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.623 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 1.5 Cg_endo . . . . . 0 C--O 1.232 0.193 0 N-CA-C 113.017 0.353 . . . . 0.0 113.017 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.7 m -67.82 -29.44 68.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.589 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -86.7 -42.14 13.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.349 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.623 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 65.1 mtt-85 -70.87 -31.57 68.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -175.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 75' ' ' PRO . 64.2 mt-30 -65.66 -38.79 90.32 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.417 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 94.6 t -71.32 -40.97 74.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.201 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.5 tp -60.04 -40.55 89.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.505 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.8 -43.81 74.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.237 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -56.6 -40.57 75.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.937 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 97.6 mt-30 -60.03 -38.72 83.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.476 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.588 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 5.1 ttp180 -74.15 -37.65 63.96 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.833 HH21 ' HA ' ' A' ' 56' ' ' GLU . 43.2 ttt180 -68.52 -34.82 76.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.527 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -65.52 -38.51 89.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.165 0.507 . . . . 0.0 109.88 174.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' A' ' 85' ' ' ARG . 27.8 tt0 -58.91 -39.46 81.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.562 176.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 3.9 mm-40 -62.41 -46.36 88.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.892 177.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.42 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.4 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -57.39 -46.26 83.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.675 176.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.83 -36.49 72.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.299 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.989 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 47.0 t80 -65.45 -46.52 79.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.319 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.541 ' O ' ' HD3' ' A' ' 94' ' ' LYS . 9.2 tmtm? -70.3 -20.78 62.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.233 0.54 . . . . 0.0 110.222 -177.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.32 4.66 53.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.471 176.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.26 89.49 2.11 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.067 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.989 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 17.1 t80 -78.47 141.44 38.24 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -178.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 127' ' ' ILE . 30.3 tp -74.14 93.4 2.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.079 0.466 . . . . 0.0 111.325 -176.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.583 ' HB2' HD11 ' A' ' 129' ' ' ILE . 75.7 m -128.18 159.31 67.76 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.19 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.26 147.06 71.52 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.472 2.114 . . . . 0.0 111.455 175.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 103' ' ' SER . 3.4 m-20 -53.33 -36.28 61.12 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.251 176.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 102' ' ' LEU . 20.9 mt 71.45 -26.78 0.17 Allowed 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 114.717 -1.129 . . . . 0.0 112.519 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.452 ' H ' ' C ' ' A' ' 101' ' ' ASP . 20.8 m -85.99 17.36 3.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.108 0.48 . . . . 0.0 110.781 -175.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -126.79 136.64 52.67 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.233 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.21 -30.41 57.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.868 -174.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 106' ' ' LYS . 29.0 mmtp -79.31 -32.73 43.56 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -58.53 -50.91 72.06 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 170.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 43.5 tpp -61.8 -30.34 70.75 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.309 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.457 ' HG3' ' NH2' ' A' ' 112' ' ' ARG . 33.8 tt0 -65.01 -52.63 55.01 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 122.181 -0.324 . . . . 0.0 110.608 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.402 ' HB3' HD22 ' A' ' 124' ' ' LEU . 29.4 m-85 -58.0 -39.97 79.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.988 0.423 . . . . 0.0 110.638 176.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.72 -38.0 85.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.782 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.457 ' NH2' ' HG3' ' A' ' 109' ' ' GLU . 29.0 ttp85 -72.64 -41.36 65.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.428 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -86.57 7.69 25.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.318 0.58 . . . . 0.0 110.537 -176.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -68.42 141.64 55.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.821 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -127.53 -170.16 2.18 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -73.39 62.32 1.85 Allowed Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.877 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.5 m -131.5 105.41 7.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.968 0.413 . . . . 0.0 110.174 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -69.71 -16.35 63.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.439 -178.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -73.94 -10.41 80.68 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.336 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.8 mt -83.67 -0.98 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.488 HD21 HD12 ' A' ' 124' ' ' LEU . 58.6 mt -78.26 -12.25 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.166 0.507 . . . . 0.0 110.37 178.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -94.2 -24.87 17.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.979 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 63.1 p -82.74 -32.27 27.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.211 0.529 . . . . 0.0 110.231 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.488 HD12 HD21 ' A' ' 121' ' ' LEU . 20.3 mt -63.86 139.14 58.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.854 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -75.95 93.97 3.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.421 173.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 80.1 mt -118.81 137.48 53.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.158 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 98' ' ' LEU . 43.9 pt -123.17 -173.09 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.265 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.539 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 42.1 mtp180 -104.57 119.36 38.8 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 175.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.583 HD11 ' HB2' ' A' ' 99' ' ' CYS . 38.2 mt -110.41 132.63 58.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -178.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -127.24 144.48 51.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.35 -175.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 62.82 -78.34 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 172.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -134.86 36.1 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.906 0.384 . . . . 0.0 111.77 -171.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.647 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 92.34 17.78 44.87 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 119.939 -1.125 . . . . 0.0 111.994 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -80.67 137.84 36.34 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -79.83 117.35 20.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.022 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.539 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 59.2 t -82.28 112.45 20.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.393 -176.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.319 -0.745 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 171.591 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.421 HG12 ' O ' ' A' ' 18' ' ' VAL . 29.2 t . . . . . 0 C--O 1.225 -0.233 0 CA-C-O 121.397 0.617 . . . . 0.0 109.975 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -70.8 -36.33 72.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.323 0.582 . . . . 0.0 109.892 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -81.36 -27.24 34.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.477 175.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.3 mt -74.98 -36.8 62.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.143 0.497 . . . . 0.0 110.205 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.28 -19.88 62.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.251 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -42.94 93.05 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.485 HG22 ' HG3' ' A' ' 100' ' ' PRO . 69.6 t -70.59 -42.76 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.291 178.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.2 tttm -61.13 -41.04 96.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.89 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.458 ' O ' HG22 ' A' ' 30' ' ' VAL . 76.3 t80 -59.57 -47.49 85.34 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 176.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.656 ' O ' HG23 ' A' ' 31' ' ' VAL . 66.2 mtt -59.56 -48.12 82.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.49 178.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.548 ' HG3' ' HA ' ' A' ' 112' ' ' ARG . 38.4 tt0 -55.78 -47.11 77.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.999 0.428 . . . . 0.0 110.328 178.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.98 -46.68 88.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.347 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 36' ' ' PHE . 77.2 t -62.73 -43.18 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.654 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 27' ' ' MET . 61.2 t -61.65 -36.11 71.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.362 0.601 . . . . 0.0 110.444 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.54 HD22 ' HG3' ' A' ' 112' ' ' ARG . 53.9 m-80 -94.51 3.58 54.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.888 -178.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.8 t -100.01 150.42 22.45 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 1.003 ' HA ' ' HB2' ' A' ' 37' ' ' LYS . 21.7 m-20 -70.45 -4.51 22.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.221 0.534 . . . . 0.0 110.384 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.414 HG23 ' CD1' ' A' ' 36' ' ' PHE . 26.3 m -58.12 -44.64 87.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.445 172.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.471 ' HB2' HG11 ' A' ' 30' ' ' VAL . 50.2 m-85 -138.32 30.88 2.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.559 0.695 . . . . 0.0 109.966 177.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 1.003 ' HB2' ' HA ' ' A' ' 34' ' ' ASP . 17.0 tptm -52.78 -35.13 56.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.021 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.32 15.29 63.59 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.031 -176.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -116.28 94.52 42.66 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 178.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.406 ' O ' ' HG2' ' A' ' 108' ' ' MET . 29.0 Cg_exo -62.67 -48.07 7.89 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.919 2.413 . . . . 0.0 112.267 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.7 mm -115.97 148.91 18.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.49 ' CE1' HG21 ' A' ' 31' ' ' VAL . 42.4 m-85 -111.94 127.93 56.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.362 0.601 . . . . 0.0 111.366 -176.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.31 155.41 21.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.183 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -62.54 -24.89 67.75 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 48' ' ' ARG . . . -68.16 -35.31 77.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.42 173.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -74.75 -38.66 62.18 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.631 ' HG1' HD12 ' A' ' 102' ' ' LEU . 87.2 m -56.59 -51.13 69.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.181 0.515 . . . . 0.0 110.045 171.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 1.057 ' HG3' ' HB3' ' A' ' 132' ' ' LYS . 14.0 ttt180 -42.69 -52.05 5.05 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.805 174.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -73.08 -43.28 62.05 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.169 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.69 -44.45 96.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 47' ' ' THR . 68.5 mt -61.13 -49.24 85.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.403 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -64.2 -44.08 93.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.812 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.4 t -66.87 -33.52 75.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.342 -177.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -64.0 -40.23 95.9 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.681 HG22 ' HB2' ' A' ' 86' ' ' ARG . 83.6 mt -63.13 -42.17 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.181 176.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.3 -19.04 63.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.575 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.404 HH21 ' HA ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -71.11 -30.26 66.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.437 179.563 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.404 ' HA ' HH21 ' A' ' 57' ' ' ARG . 11.9 t70 -67.08 -31.73 72.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.339 0.59 . . . . 0.0 110.13 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.06 -23.13 67.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.506 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.2 m -74.83 -26.99 60.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.514 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.446 ' CD ' HH12 ' A' ' 85' ' ' ARG . 54.3 tt0 -82.66 -33.18 27.85 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 174.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.688 ' HB2' HD11 ' A' ' 82' ' ' LEU . 54.5 tp -62.18 -32.03 72.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.016 172.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.41 -31.16 72.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.636 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.15 -38.49 83.27 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.38 175.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.558 178.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo . . . . . 0 N--CA 1.45 -1.035 0 CA-C-O 120.651 0.188 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.5 m -73.14 -72.8 0.23 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.968 0.413 . . . . 0.0 110.568 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -76.49 -35.04 58.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.948 -176.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -65.59 -29.83 70.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.606 -174.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -73.52 -34.52 65.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.091 0.472 . . . . 0.0 109.809 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.481 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 62.1 t -66.93 -39.99 84.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.068 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -55.56 -39.88 71.22 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.301 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.688 HD11 ' HB2' ' A' ' 62' ' ' LEU . 1.6 tm? -67.28 -53.84 26.17 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 87' ' ' ASP . 46.0 tt0 -51.32 -38.49 53.28 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.448 -178.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 26.7 mt-30 -60.12 -25.05 65.17 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -177.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.446 HH12 ' CD ' ' A' ' 61' ' ' GLU . 97.8 mtt180 -49.21 -64.1 0.91 Allowed 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.714 0.769 . . . . 0.0 110.134 177.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.681 ' HB2' HG22 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -91.61 -6.3 52.49 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.227 -172.403 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 83' ' ' GLN . 0.5 OUTLIER -76.82 -36.89 56.57 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 172.827 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -66.83 -39.99 87.85 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.182 170.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.455 ' HB2' ' HA ' ' A' ' 86' ' ' ARG . 42.3 mt-10 -59.92 -33.21 71.58 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.93 176.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 85.4 mt -69.7 -33.29 72.32 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.043 0.449 . . . . 0.0 110.722 176.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -64.88 -40.67 95.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.289 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -83.45 -26.08 30.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.166 0.508 . . . . 0.0 110.078 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.47 ' HB3' ' O ' ' A' ' 90' ' ' LEU . 68.2 t80 -52.12 -42.17 63.09 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.217 1.007 . . . . 0.0 110.372 174.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -62.1 -30.77 71.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.782 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -111.18 14.42 21.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.83 0.347 . . . . 0.0 111.109 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.547 ' HA2' ' HA ' ' A' ' 130' ' ' ASN . . . 87.85 124.85 2.12 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.079 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.503 ' HD2' ' HG ' ' A' ' 99' ' ' CYS . 43.5 t80 -95.82 154.78 17.05 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 54.7 tp -75.27 98.63 3.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.031 0.444 . . . . 0.0 111.005 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.503 ' HG ' ' HD2' ' A' ' 97' ' ' PHE . 71.7 m -128.6 145.24 55.26 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.257 177.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.789 ' HA ' ' HA ' ' A' ' 126' ' ' LEU . 33.7 Cg_endo -67.08 150.84 82.42 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.351 2.034 . . . . 0.0 112.613 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.23 109.98 8.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.098 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.631 HD12 ' HG1' ' A' ' 47' ' ' THR . 34.8 mt -92.16 0.86 57.47 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -177.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.8 p -98.26 12.11 35.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.949 0.404 . . . . 0.0 111.552 -175.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.412 ' HB3' ' ND2' ' A' ' 107' ' ' ASN . 23.5 t70 -127.4 137.98 52.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.319 176.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.4 -26.4 55.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -174.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -77.73 -36.22 51.07 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.489 HD22 ' HD3' ' A' ' 125' ' ' ARG . 94.2 m-20 -63.73 -45.16 91.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.135 174.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.448 ' SD ' HG22 ' A' ' 31' ' ' VAL . 39.8 tpp -62.54 -33.85 75.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.925 0.393 . . . . 0.0 110.457 175.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.13 -51.06 69.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.238 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -64.55 -33.65 76.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.737 0.303 . . . . 0.0 110.863 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.439 ' HG ' HG13 ' A' ' 24' ' ' VAL . 9.9 tt -66.83 -40.47 88.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.544 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.548 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 58.9 ttt180 -77.94 -33.09 51.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.142 0.496 . . . . 0.0 110.491 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -87.37 19.21 3.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.704 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.642 ' HA ' HD11 ' A' ' 120' ' ' LEU . 16.7 t90 -68.18 112.14 4.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.115 0.483 . . . . 0.0 109.784 178.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -86.56 -2.09 58.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.309 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.25 -0.36 60.1 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.449 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.8 t -82.41 141.59 32.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.524 ' HA ' HD22 ' A' ' 121' ' ' LEU . 67.5 t80 -72.42 -25.01 61.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.185 -177.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.89 -26.06 68.46 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.268 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.642 HD11 ' HA ' ' A' ' 114' ' ' TRP . 1.6 mt -69.02 -16.46 63.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.093 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.524 HD22 ' HA ' ' A' ' 118' ' ' PHE . 4.2 mm? -81.15 -9.06 59.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.047 0.451 . . . . 0.0 110.408 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -93.44 -19.01 21.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.772 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' THR . . . . . 0.516 ' OG1' HD23 ' A' ' 120' ' ' LEU . 71.4 p -98.15 -33.5 11.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.427 0.632 . . . . 0.0 110.202 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 120' ' ' LEU . 0.5 OUTLIER -71.48 130.06 40.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.468 176.229 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.489 ' HD3' HD22 ' A' ' 107' ' ' ASN . 8.3 ttt180 -81.77 95.13 7.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.304 0.574 . . . . 0.0 111.075 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.789 ' HA ' ' HA ' ' A' ' 100' ' ' PRO . 8.8 mp -98.61 130.46 45.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.146 171.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 20.6 pt -126.18 -172.85 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.087 0.47 . . . . 0.0 111.165 -173.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.523 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 10.8 mmm180 -96.96 122.12 39.6 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.451 HD12 HG22 ' A' ' 47' ' ' THR . 37.9 mt -118.9 121.22 66.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.007 0.432 . . . . 0.0 110.25 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.547 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . 23.7 t-20 -91.54 136.18 33.31 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.881 -172.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.7 t70 52.94 -97.13 0.06 Allowed 'General case' 0 CA--C 1.531 0.228 0 O-C-N 124.39 1.056 . . . . 0.0 111.618 173.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 1.057 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . 63.5 mttm -126.68 80.76 1.96 Allowed 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.896 -0.503 . . . . 0.0 111.114 -176.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 74.49 22.38 77.44 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.6 -0.727 . . . . 0.0 113.763 172.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -95.08 132.28 40.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.109 0.455 . . . . 0.0 110.322 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -67.42 131.37 45.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.241 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.523 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 20.1 t -125.73 101.28 8.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.144 171.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 54.4 t . . . . . 0 C--N 1.32 -0.695 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 173.195 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.508 ' HA ' ' HB2' ' A' ' 21' ' ' LEU . 35.7 t . . . . . 0 N--CA 1.456 -0.153 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -53.08 -43.71 66.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.466 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -87.07 -31.84 20.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.663 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.508 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 85.7 mt -58.08 -43.22 86.93 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.831 0.348 . . . . 0.0 111.002 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.98 -30.65 68.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.631 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.445 ' NH1' ' HZ ' ' A' ' 97' ' ' PHE . 63.8 mtt85 -73.95 -39.05 64.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.854 0.359 . . . . 0.0 110.296 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -67.52 -37.91 79.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.238 0.542 . . . . 0.0 109.601 174.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -57.37 -46.19 83.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.415 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -57.36 -40.8 78.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.731 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.543 ' O ' HG22 ' A' ' 31' ' ' VAL . 59.7 mtt -67.46 -43.64 80.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.129 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.8 tm0? -62.5 -43.23 99.32 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -60.33 -52.14 66.52 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.995 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.492 HG13 ' HA ' ' A' ' 27' ' ' MET . 10.5 p -64.14 -34.1 66.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -174.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 27' ' ' MET . 81.4 t -62.9 -37.94 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.465 0.65 . . . . 0.0 109.964 175.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -96.32 6.32 49.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.788 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.462 ' HB3' ' HA ' ' A' ' 30' ' ' VAL . 45.8 t -102.11 142.47 33.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.439 -178.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -61.46 -17.1 52.92 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.228 -176.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.0 m -59.66 -36.98 77.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.252 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -143.68 24.8 1.69 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.668 0.271 . . . . 0.0 111.364 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 33' ' ' SER . 61.6 tttm -64.86 -24.91 67.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.987 0.423 . . . . 0.0 110.721 -177.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.23 -17.56 72.27 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.745 178.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -110.4 107.81 58.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 110.425 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.0 -34.41 38.29 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.755 2.303 . . . . 0.0 112.262 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 37.3 mm -123.3 147.39 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.153 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -103.52 -165.32 1.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.722 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.409 ' H ' ' HB2' ' A' ' 46' ' ' HIS . 4.3 m-20 -132.17 169.47 16.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.085 -172.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.519 ' O ' ' HB ' ' A' ' 47' ' ' THR . 17.6 m-70 -70.93 -31.96 68.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.018 0.437 . . . . 0.0 110.024 177.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.15 -39.74 78.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.968 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.409 ' HB2' ' H ' ' A' ' 43' ' ' ASP . 4.7 m80 -65.75 -29.43 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.74 175.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.519 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 72.6 m -55.3 -58.39 7.93 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 170.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.524 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 22.8 ttt180 -52.54 -46.72 66.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.333 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.55 -51.56 68.07 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.574 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -69.21 -39.87 78.34 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.5 mm -62.67 -47.62 92.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.169 0.509 . . . . 0.0 109.759 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -66.08 -31.4 72.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.81 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 t -62.11 -39.94 94.2 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.262 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -69.62 -33.22 72.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.978 0.418 . . . . 0.0 110.007 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.403 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 67.6 mt -70.71 -34.92 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.175 0.512 . . . . 0.0 110.072 175.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -68.98 -21.86 64.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.573 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -55.43 -29.14 58.05 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.358 174.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.598 ' HB2' HH22 ' A' ' 85' ' ' ARG . 2.1 t70 -56.83 -36.56 70.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.273 177.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.471 ' HB2' HH12 ' A' ' 86' ' ' ARG . 19.8 t70 -68.5 -16.8 64.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.379 -176.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.8 m -76.31 -36.1 58.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.115 0.483 . . . . 0.0 109.96 175.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.04 -40.73 37.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.459 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.3 tp -65.21 -29.18 69.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.564 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -53.61 -41.52 66.73 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.142 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -56.12 -45.86 79.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.825 176.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.489 HD22 ' HD2' ' A' ' 78' ' ' ARG . 85.9 mt . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.961 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.463 ' HB2' ' HB3' ' A' ' 78' ' ' ARG . 13.3 Cg_exo . . . . . 0 N--CA 1.461 -0.39 0 CA-C-O 120.416 0.09 . . . . 0.0 112.235 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.1 p -59.15 -49.23 78.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.992 0.425 . . . . 0.0 110.258 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -56.23 -57.0 14.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.094 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.489 ' HD2' HD22 ' A' ' 65' ' ' LEU . 40.4 ttm-85 -61.28 -46.05 91.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.587 -176.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.486 ' HA ' HD11 ' A' ' 65' ' ' LEU . 34.0 tt0 -62.89 -48.12 80.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.041 -177.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.81 -39.32 84.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.355 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.7 tp -62.74 -45.47 92.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.927 0.394 . . . . 0.0 110.489 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.33 -49.86 75.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.776 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.09 -37.28 86.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.368 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -66.8 -27.47 67.6 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.446 0.165 . . . . 0.0 111.317 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.598 HH22 ' HB2' ' A' ' 58' ' ' ASP . 4.7 ttp-105 -63.01 -50.66 69.86 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 174.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.596 ' HD2' ' OD1' ' A' ' 58' ' ' ASP . 31.6 ttt180 -60.78 -42.08 96.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.414 177.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -57.35 -45.02 84.79 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.632 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -69.75 -38.77 76.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 85' ' ' ARG . 77.4 mt-10 -59.96 -39.58 86.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.934 0.397 . . . . 0.0 110.368 177.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.18 -37.24 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.703 177.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -73.65 -36.53 65.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.372 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.72 -37.63 88.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.505 0.669 . . . . 0.0 109.576 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 1.009 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 37.6 t80 -67.17 -40.35 86.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.47 177.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -66.11 -33.84 76.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.839 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.14 17.19 3.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.337 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.58 86.67 1.14 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.596 -0.812 . . . . 0.0 111.517 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 1.009 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 28.7 t80 -80.12 148.93 30.77 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -175.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.9 tp -72.34 94.89 1.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.951 0.405 . . . . 0.0 110.539 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.671 ' HB2' HD13 ' A' ' 129' ' ' ILE . 15.1 m -128.18 150.36 73.73 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.409 -178.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.503 ' HG2' ' SD ' ' A' ' 27' ' ' MET . 5.7 Cg_exo -75.25 153.1 40.39 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.356 2.037 . . . . 0.0 111.616 171.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -70.75 -27.5 63.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.73 ' HA ' ' SD ' ' A' ' 108' ' ' MET . 44.9 mt 62.44 14.7 7.15 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.645 177.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.9 m -110.88 -43.32 3.81 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.466 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.95 113.05 5.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.951 0.405 . . . . 0.0 109.957 176.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.06 -37.95 78.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.035 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -68.48 -35.48 77.59 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.483 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.614 ' ND2' ' HB2' ' A' ' 125' ' ' ARG . 45.8 t30 -64.81 -44.52 89.63 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.73 ' SD ' ' HA ' ' A' ' 102' ' ' LEU . 92.6 mmm -63.3 -37.18 86.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.973 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.07 -39.46 86.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.371 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -72.18 -30.38 64.92 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.5 tt -68.46 -35.79 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.405 172.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 112' ' ' ARG . 33.2 ttt180 -70.36 -23.62 62.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.287 177.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -86.86 2.01 50.51 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.295 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.457 ' CZ2' ' HA2' ' A' ' 116' ' ' GLY . 46.4 t90 -65.89 115.07 5.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.933 0.397 . . . . 0.0 110.816 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -104.71 21.18 17.34 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 110.729 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.457 ' HA2' ' CZ2' ' A' ' 114' ' ' TRP . . . 90.62 37.76 6.4 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -173.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.899 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 0.2 OUTLIER -94.14 124.25 38.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.266 -0.467 . . . . 0.0 110.597 -175.31 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -78.21 -40.67 36.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.965 0.412 . . . . 0.0 110.295 -178.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -68.51 -12.71 64.36 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.392 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.899 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 0.5 OUTLIER -72.72 -14.48 61.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.39 0.615 . . . . 0.0 109.883 179.112 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.401 HD13 ' CD2' ' A' ' 21' ' ' LEU . 69.0 mt -73.55 -19.03 61.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.159 0.504 . . . . 0.0 110.089 176.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -97.95 13.66 30.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.195 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 50.0 p -129.37 -34.1 1.86 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.172 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.74 152.34 35.98 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.317 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.614 ' HB2' ' ND2' ' A' ' 107' ' ' ASN . 38.0 mtp85 -77.1 72.24 3.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.27 0.557 . . . . 0.0 109.884 173.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.7 102.92 15.09 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.776 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.502 HD13 ' HG3' ' A' ' 135' ' ' GLN . 16.9 pt -106.67 176.16 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.259 -175.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -96.79 120.8 37.8 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 175.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.671 HD13 ' HB2' ' A' ' 99' ' ' CYS . 25.3 mt -118.52 132.24 68.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.292 -175.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -101.7 120.39 40.27 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.581 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.6 t70 56.76 -93.94 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 171.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.524 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 10.9 pttm -100.79 44.27 1.02 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -167.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.453 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 79.6 31.01 42.21 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.346 176.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -90.72 111.5 22.89 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.502 ' HG3' HD13 ' A' ' 127' ' ' ILE . 54.2 tt0 -70.54 119.0 14.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.171 0.51 . . . . 0.0 110.843 -177.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.9 t -84.84 97.35 5.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.605 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.359 -176.334 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.0 t . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.774 0.321 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -67.12 -8.52 31.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.331 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.727 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 37.5 tp10 -102.19 -66.59 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.903 -178.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.5 mt -70.54 -31.93 69.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.282 -170.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 -32.48 72.24 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.727 ' NH1' ' HA ' ' A' ' 20' ' ' GLU . 15.6 mtm-85 -66.41 -43.67 85.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.174 0.511 . . . . 0.0 109.87 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.41 -45.1 94.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.713 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -68.16 -30.93 70.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.792 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.541 ' O ' HG22 ' A' ' 30' ' ' VAL . 63.1 t80 -60.49 -54.92 39.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 173.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.574 ' O ' HG21 ' A' ' 31' ' ' VAL . 63.0 mtt -55.77 -45.19 78.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.201 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -50.24 -57.35 8.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.049 176.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.547 ' HA ' ' HB2' ' A' ' 32' ' ' ASN . 81.0 m-20 -73.72 -16.09 61.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.058 -173.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 26' ' ' PHE . 53.6 t -72.73 -37.66 56.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 172.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.574 HG21 ' O ' ' A' ' 27' ' ' MET . 20.6 t -75.82 -26.84 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.84 176.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.547 ' HB2' ' HA ' ' A' ' 29' ' ' ASP . 86.0 m-20 -77.73 -38.67 46.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.155 177.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 35.6 t -78.07 159.8 28.48 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.803 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.09 1.1 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.126 0.489 . . . . 0.0 110.451 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 m -56.94 -55.24 37.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.491 174.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -137.57 22.53 2.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.334 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 33' ' ' SER . 35.2 ttpt -57.76 -31.38 66.44 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.025 0.441 . . . . 0.0 111.352 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.1 -4.9 89.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.516 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 83.6 mm-40 -107.03 121.0 46.17 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 39' ' ' GLN . 23.2 Cg_exo -65.78 -61.47 0.09 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.641 2.227 . . . . 0.0 112.601 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 105' ' ' ALA . 7.5 mm -125.76 163.69 26.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -176.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.867 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 92.2 m-85 -110.22 -160.38 0.71 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.993 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.582 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 1.9 p30 -142.29 -177.68 5.37 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.257 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.529 ' O ' ' HB ' ' A' ' 47' ' ' THR . 4.3 m-70 -81.11 -21.71 39.67 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.601 0.239 . . . . 0.0 111.448 -177.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.01 -37.96 72.65 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 175.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -67.24 -26.09 66.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.679 173.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.529 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 93.9 m -57.88 -63.56 1.21 Allowed 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 172.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.578 ' HD3' ' HB3' ' A' ' 132' ' ' LYS . 12.8 ptt180 -61.21 -32.25 72.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.122 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.22 -50.15 72.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.686 0.279 . . . . 0.0 110.744 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -73.54 -40.37 64.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.546 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 47' ' ' THR . 46.4 mm -65.69 -43.59 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.785 0.326 . . . . 0.0 110.997 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -62.96 -47.64 82.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.7 p -67.75 -32.85 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.178 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -61.86 -39.82 93.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.806 0.336 . . . . 0.0 110.804 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.2 mt -81.32 -39.22 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.805 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -67.43 -18.25 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.244 0.545 . . . . 0.0 110.211 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.559 HH11 ' HB3' ' A' ' 57' ' ' ARG . 2.6 ttp-105 -54.42 -36.21 63.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.092 176.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -64.7 -22.2 66.92 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.674 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.28 -21.35 63.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.989 0.423 . . . . 0.0 110.184 177.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.9 m -78.27 -28.13 47.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.226 178.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -84.8 -34.02 22.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.26 0.552 . . . . 0.0 109.683 174.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.36 -27.26 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.476 171.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.71 -32.41 73.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.376 178.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.83 -48.61 79.81 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 174.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.009 179.335 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo . . . . . 0 N--CA 1.462 -0.345 0 CA-C-O 120.59 0.162 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.451 ' O ' HG21 ' A' ' 80' ' ' VAL . 8.0 p -60.76 -57.8 11.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.565 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -63.48 -43.76 96.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.775 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.7 mtt-85 -64.17 -41.22 97.22 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -176.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -67.0 -39.91 87.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.983 0.421 . . . . 0.0 110.465 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.482 ' O ' ' HG2' ' A' ' 84' ' ' GLN . 69.4 t -64.58 -40.35 88.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.505 177.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.3 tp -59.78 -41.63 91.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.775 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.97 -47.39 86.66 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -57.36 -49.82 74.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.361 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 80' ' ' VAL . 86.5 mm-40 -55.03 -46.2 75.27 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.867 -176.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -67.17 -42.7 83.84 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.238 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.467 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 52.5 ttp180 -63.11 -46.81 85.57 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -178.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.57 -36.3 80.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.571 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.03 -44.23 93.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.086 0.469 . . . . 0.0 110.437 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -74.27 -25.93 59.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.1 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 92.4 mt -66.15 -31.34 72.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.337 0.589 . . . . 0.0 109.735 172.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.509 ' C ' ' HD3' ' A' ' 91' ' ' LYS . 5.1 tmtm? -71.12 -40.78 71.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.772 175.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -61.0 -35.63 77.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.421 0.629 . . . . 0.0 109.607 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -60.42 -39.52 87.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.549 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 90' ' ' LEU . 84.0 mttt -71.43 -30.66 66.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.506 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.1 12.13 5.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.814 -172.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.95 81.25 1.02 Allowed Glycine 0 N--CA 1.442 -0.958 0 C-N-CA 120.34 -0.933 . . . . 0.0 110.784 -174.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.56 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 28.5 t80 -55.51 129.46 38.95 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 122.753 0.421 . . . . 0.0 110.408 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.8 tp -67.1 103.31 1.16 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.161 0.505 . . . . 0.0 110.481 -176.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.664 ' HB2' HD11 ' A' ' 129' ' ' ILE . 33.9 m -128.51 154.28 79.41 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.794 -179.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.56 149.15 55.07 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.096 1.864 . . . . 0.0 109.622 166.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -55.95 -36.59 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.004 0.431 . . . . 0.0 110.298 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.867 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 15.4 tp 75.7 -32.4 0.21 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.318 171.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.582 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 5.7 p -87.48 -18.17 30.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.928 0.394 . . . . 0.0 110.495 175.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.91 122.62 24.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.388 174.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -64.87 -36.8 85.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.335 -175.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.501 ' HB3' ' NH2' ' A' ' 125' ' ' ARG . 51.1 tptt -65.19 -40.35 94.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.916 0.388 . . . . 0.0 110.288 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.568 HD22 ' HB2' ' A' ' 125' ' ' ARG . 18.5 m-80 -58.45 -46.06 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.496 173.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.434 ' SD ' HD22 ' A' ' 111' ' ' LEU . 36.4 tpp -66.1 -28.27 68.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.091 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -62.88 -52.93 61.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.705 0.288 . . . . 0.0 110.314 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.44 ' CZ ' ' HE3' ' A' ' 106' ' ' LYS . 48.2 m-85 -68.01 -34.18 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.542 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.434 HD22 ' SD ' ' A' ' 108' ' ' MET . 7.7 tt -64.3 -37.33 87.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.06 -178.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 112' ' ' ARG . 26.6 ttt180 -80.77 -25.22 38.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.134 0.492 . . . . 0.0 110.757 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -95.53 18.94 11.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.307 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.555 ' HA ' HD12 ' A' ' 120' ' ' LEU . 25.9 t90 -78.36 137.29 37.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.768 -175.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -145.0 -157.12 0.76 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.16 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -73.28 62.07 1.81 Allowed Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 172.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.7 m -132.46 103.94 6.44 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -73.81 -19.92 60.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.922 0.391 . . . . 0.0 110.839 -176.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.66 -17.33 68.91 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.971 176.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 114' ' ' TRP . 47.1 mt -73.83 -13.39 60.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 0.0 111.3 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.81 -13.61 59.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.376 0.608 . . . . 0.0 109.473 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -91.66 -29.47 16.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.8 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 49.6 p -81.07 -37.82 28.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.988 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.94 135.79 55.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.047 176.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.568 ' HB2' HD22 ' A' ' 107' ' ' ASN . 1.0 OUTLIER -92.25 77.24 5.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.623 0.725 . . . . 0.0 109.603 178.042 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 14.3 mt -82.22 123.57 29.14 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.834 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.502 HD11 ' HG3' ' A' ' 135' ' ' GLN . 16.6 pt -123.42 -175.55 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.599 -175.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.552 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 98.0 mtt180 -96.44 123.87 40.24 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.664 HD11 ' HB2' ' A' ' 99' ' ' CYS . 21.9 mt -120.77 113.85 41.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 121.444 0.64 . . . . 0.0 110.006 176.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -99.35 145.96 26.79 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.39 -171.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.6 t70 58.31 -87.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.4 -1.273 . . . . 0.0 112.203 174.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.578 ' HB3' ' HD3' ' A' ' 48' ' ' ARG . 90.5 mttt -138.73 79.87 1.76 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.196 0.522 . . . . 0.0 111.714 -176.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 74.9 13.9 82.09 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.549 -0.75 . . . . 0.0 113.294 173.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 129' ' ' ILE . 38.5 mt-10 -90.26 134.87 34.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -177.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.502 ' HG3' HD11 ' A' ' 127' ' ' ILE . 49.8 tt0 -87.37 129.44 35.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.351 0.595 . . . . 0.0 110.939 -174.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 11.0 t -103.72 135.99 38.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.399 177.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.306 0.575 . . . . 0.0 110.779 179.151 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.0 t . . . . . 0 CA--C 1.522 -0.121 0 CA-C-O 120.89 0.376 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.498 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 42.2 m80 -66.0 -11.79 50.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.438 177.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.01 -47.96 40.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.412 HD21 HD13 ' A' ' 121' ' ' LEU . 7.5 mp -72.3 -36.97 69.08 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.464 177.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.498 ' HB2' ' HA ' ' A' ' 19' ' ' HIS . . . -56.77 -29.67 62.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.403 174.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.472 ' HD3' ' CD1' ' A' ' 51' ' ' ILE . 33.7 ttm180 -70.8 -40.27 72.64 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.4 t -60.43 -43.19 93.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.701 174.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 55.0 tttm -57.9 -47.34 83.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.526 175.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.423 ' O ' HG21 ' A' ' 30' ' ' VAL . 77.8 t80 -57.56 -49.06 77.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.506 ' O ' HG22 ' A' ' 31' ' ' VAL . 53.7 mtt -57.89 -42.54 84.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.553 177.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -59.66 -52.62 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.328 176.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -57.66 -46.95 83.57 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.895 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.473 HG13 ' HB2' ' A' ' 36' ' ' PHE . 73.0 t -59.17 -46.24 92.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 27' ' ' MET . 50.2 t -69.42 -32.23 52.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.056 0.455 . . . . 0.0 110.947 -177.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -88.09 -7.99 56.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.121 0.486 . . . . 0.0 110.912 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 18.7 t -97.47 153.11 18.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.377 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.77 -10.09 11.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.422 HG21 ' CD2' ' A' ' 36' ' ' PHE . 28.0 m -53.26 -46.02 69.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.644 175.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.473 ' HB2' HG13 ' A' ' 30' ' ' VAL . 19.2 m-85 -143.05 14.4 1.88 Allowed 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 33' ' ' SER . 37.8 ttpt -68.03 -13.29 62.07 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.155 0.502 . . . . 0.0 110.664 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.91 -18.33 72.44 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.764 -0.731 . . . . 0.0 111.887 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -100.18 136.0 20.19 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.91 -67.95 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.595 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 105' ' ' ALA . 40.3 mm -136.41 152.73 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.65 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 24.2 m-85 -89.68 -167.14 1.77 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.678 0.275 . . . . 0.0 110.799 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.844 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 6.4 m-20 -143.17 -178.23 5.74 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -177.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.401 ' O ' ' HB ' ' A' ' 47' ' ' THR . 17.1 m170 -69.24 -23.27 63.84 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.02 75.39 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.346 172.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.508 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 54.7 m-70 -69.43 -23.46 63.69 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.154 175.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 90.7 m -65.68 -53.34 42.38 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 169.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 1.046 ' HG3' ' HB3' ' A' ' 132' ' ' LYS . 59.0 ttt180 -50.41 -47.87 56.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.464 174.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.508 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 32.2 mt-10 -57.46 -58.5 8.0 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.992 177.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -67.5 -41.03 85.13 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -174.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.472 ' CD1' ' HD3' ' A' ' 23' ' ' ARG . 41.5 mm -64.46 -36.06 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.804 0.335 . . . . 0.0 110.453 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -61.96 -46.39 89.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.159 174.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.2 m -64.9 -29.6 70.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.021 0.439 . . . . 0.0 111.017 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -66.78 -42.89 85.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.96 0.41 . . . . 0.0 110.27 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.5 mt -74.6 -32.91 30.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.308 0.575 . . . . 0.0 110.223 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.75 -31.27 71.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.366 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -59.17 -38.38 79.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.48 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -77.52 -33.99 54.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.954 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.6 -34.11 72.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.023 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 90.8 m -63.93 -38.58 91.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.071 176.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -69.68 -40.0 76.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.539 0.685 . . . . 0.0 109.22 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.512 ' HA ' HD22 ' A' ' 82' ' ' LEU . 58.9 tp -61.85 -42.05 98.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.688 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -67.39 -31.82 72.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.928 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -67.54 -44.49 78.18 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.419 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.218 0.532 . . . . 0.0 109.565 175.878 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo . . . . . 0 N--CA 1.463 -0.301 0 CA-C-O 120.658 0.191 . . . . 0.0 112.122 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.1 m 55.34 -87.88 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.793 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -69.27 -29.24 67.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.262 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.95 -31.49 72.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.193 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -66.39 -47.68 72.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.314 0.578 . . . . 0.0 109.743 177.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.1 t -67.21 -35.76 74.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.287 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.44 -41.61 84.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.362 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.512 HD22 ' HA ' ' A' ' 62' ' ' LEU . 36.3 tp -66.8 -36.55 82.64 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 175.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -60.78 -43.58 97.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.162 174.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -65.59 -33.77 76.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -40.82 75.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.335 0.588 . . . . 0.0 109.433 177.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.453 ' HD2' HD21 ' A' ' 62' ' ' LEU . 27.8 ttt-85 -57.26 -53.99 51.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.702 173.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.487 ' HA ' HD12 ' A' ' 90' ' ' LEU . 1.3 m-20 -63.71 -33.01 74.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.314 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.07 -49.41 76.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.719 0.295 . . . . 0.0 110.651 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -67.02 -30.11 70.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.233 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 87' ' ' ASP . 95.5 mt -65.5 -39.32 91.73 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.499 175.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -67.92 -38.35 82.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.308 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -69.48 -33.52 73.0 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.57 ' HD1' ' HB2' ' A' ' 97' ' ' PHE . 1.6 t80 -66.11 -36.37 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.734 175.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -75.65 -13.18 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.948 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.25 -16.37 16.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.591 177.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.03 90.41 0.9 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.988 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.57 ' HB2' ' HD1' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -76.47 138.75 40.49 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -179.436 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.4 tp -80.21 97.11 6.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.125 0.488 . . . . 0.0 110.742 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.704 ' HB2' HD12 ' A' ' 129' ' ' ILE . 73.4 m -128.06 152.38 77.47 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.926 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -80.17 151.27 20.65 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 121.877 1.718 . . . . 0.0 111.729 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.17 102.1 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 174.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.65 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 13.8 tp -79.23 5.87 11.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.182 -172.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.844 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 7.3 p -113.27 6.04 17.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.494 -177.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -95.55 124.43 39.57 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.095 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.434 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -67.17 -45.69 76.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.776 -175.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -69.0 -43.13 75.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.788 0.328 . . . . 0.0 110.672 -176.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.492 HD21 ' HA ' ' A' ' 124' ' ' LEU . 10.8 m120 -73.36 -23.15 60.17 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.725 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.533 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 29.2 ttm -75.85 -27.07 57.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 171.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -70.03 -42.55 72.79 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 173.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -60.76 -39.14 87.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.912 171.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.432 HD23 ' CB ' ' A' ' 27' ' ' MET . 4.0 tp -60.0 -45.8 91.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.049 176.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 108' ' ' MET . 74.5 mtt180 -60.27 -33.6 72.54 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.304 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.527 ' N ' HD21 ' A' ' 113' ' ' ASN . 0.8 OUTLIER -99.66 18.31 18.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.938 -175.298 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.674 ' HA ' HD11 ' A' ' 120' ' ' LEU . 24.1 t90 -68.93 108.8 3.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.356 0.598 . . . . 0.0 110.09 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -86.12 18.06 3.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.341 -174.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.23 47.19 24.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.449 -0.881 . . . . 0.0 111.09 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.574 HG21 ' HB2' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -120.65 142.84 49.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.923 0.392 . . . . 0.0 110.959 -175.35 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -80.64 -23.49 39.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.963 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -72.89 -26.92 69.96 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.149 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.674 HD11 ' HA ' ' A' ' 114' ' ' TRP . 2.9 tt -73.94 -20.16 60.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.232 0.539 . . . . 0.0 109.777 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.412 HD13 HD21 ' A' ' 21' ' ' LEU . 97.4 mt -63.95 -29.98 71.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.051 0.453 . . . . 0.0 110.328 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -73.75 -21.78 60.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 70.0 p -94.98 2.47 55.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.128 0.49 . . . . 0.0 110.511 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.492 ' HA ' HD21 ' A' ' 107' ' ' ASN . 81.6 mt -103.61 143.17 33.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.359 177.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -80.48 73.15 7.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.19 0.519 . . . . 0.0 109.753 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.3 mt -83.89 105.15 14.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.358 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.519 HD12 ' HG3' ' A' ' 135' ' ' GLN . 11.1 pt -109.04 175.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.819 -173.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -96.85 117.54 31.32 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.704 HD12 ' HB2' ' A' ' 99' ' ' CYS . 55.9 mt -115.49 126.64 73.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.226 0.536 . . . . 0.0 110.807 -177.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 93' ' ' PHE . 40.8 t30 -108.74 166.32 10.89 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.212 -176.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' A' ' 132' ' ' LYS . 19.1 t70 60.32 -95.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.897 0.748 . . . . 0.0 111.025 173.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 1.046 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . 95.1 mttt -156.36 86.47 1.01 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.75 21.01 54.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.631 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -100.56 106.42 17.94 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.197 -0.298 . . . . 0.0 110.197 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.519 ' HG3' HD12 ' A' ' 127' ' ' ILE . 53.9 tt0 -68.67 124.15 22.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.013 0.435 . . . . 0.0 110.929 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.0 t -92.51 93.66 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.87 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.229 -177.526 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.8 p . . . . . 0 CA--C 1.527 0.079 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.452 ' HE2' ' CD ' ' A' ' 89' ' ' GLU . 47.5 t-80 -58.85 -30.29 67.6 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.187 176.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HB3' HD11 ' A' ' 21' ' ' LEU . 29.8 tt0 -71.09 -49.7 41.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.414 -177.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.464 HD11 ' N ' ' A' ' 21' ' ' LEU . 4.4 mp -81.01 -11.33 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.532 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.25 -38.57 77.14 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.516 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -60.85 -44.98 96.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 110.239 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.9 t -68.72 -42.64 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.015 -178.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.6 -38.26 90.41 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.88 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -56.51 -48.41 77.26 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 175.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.433 ' O ' HG22 ' A' ' 31' ' ' VAL . 64.9 mtt -59.62 -43.74 93.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.593 177.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -59.03 -54.11 50.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.026 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.75 -39.71 89.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.486 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.459 HG11 ' HB2' ' A' ' 36' ' ' PHE . 53.8 t -68.53 -42.54 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 27' ' ' MET . 34.4 m -77.24 -21.19 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -89.9 -21.46 22.49 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.256 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.527 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 71.7 p -95.66 168.48 10.65 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.11 1.4 11.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.168 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.4 m -60.41 -47.51 85.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.832 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.459 ' HB2' HG11 ' A' ' 30' ' ' VAL . 30.0 m-85 -142.12 22.64 2.06 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.171 -0.211 . . . . 0.0 111.519 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 33' ' ' SER . 37.7 ttpt -61.27 -22.78 65.16 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.059 0.457 . . . . 0.0 110.765 177.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.83 -35.93 77.42 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.016 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -116.59 93.93 41.93 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -68.36 -21.25 41.31 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.799 2.332 . . . . 0.0 112.132 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.461 HD11 ' HA ' ' A' ' 105' ' ' ALA . 20.3 mm -119.17 153.59 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.536 ' HB3' ' HB2' ' A' ' 46' ' ' HIS . 76.1 m-85 -130.2 -165.51 1.55 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.884 0.374 . . . . 0.0 110.943 -178.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -129.39 168.48 16.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -60.29 -26.09 66.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.687 0.28 . . . . 0.0 110.999 176.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.16 73.35 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.617 0.246 . . . . 0.0 110.647 173.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.588 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 78.5 m-70 -76.23 -19.36 58.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.991 178.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.2 m -66.86 -55.0 16.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 169.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -48.94 -52.61 23.72 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.162 172.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.588 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 28.3 mt-10 -50.6 -61.51 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.213 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -72.95 -41.54 64.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 -173.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.76 -47.67 85.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.773 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -65.74 -35.52 80.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.646 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.2 p -73.06 -33.7 65.82 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.857 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -66.11 -34.59 78.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.032 0.444 . . . . 0.0 109.814 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 78.0 mt -72.9 -48.68 43.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.771 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -64.97 -17.44 64.4 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.188 -176.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.3 ttt-85 -56.24 -30.89 62.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.292 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -63.54 -27.91 69.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.552 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.7 -21.46 64.5 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.279 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.4 m -67.94 -34.42 76.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.133 0.492 . . . . 0.0 110.588 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -87.52 -18.34 30.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.285 0.564 . . . . 0.0 109.797 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.412 ' HB2' HD12 ' A' ' 82' ' ' LEU . 56.6 tp -74.79 -31.51 61.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.916 173.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.66 -31.33 72.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.694 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -59.39 -40.02 85.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.149 0.5 . . . . 0.0 110.005 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.399 -179.86 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo . . . . . 0 N--CA 1.454 -0.829 0 CA-C-O 120.713 0.214 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.432 ' O ' HG21 ' A' ' 80' ' ' VAL . 23.8 p -87.63 -75.48 0.41 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.766 0.317 . . . . 0.0 110.733 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -66.85 -32.98 74.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.335 -175.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.6 mmm-85 -65.16 -38.25 89.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.072 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -79.02 -39.86 32.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.725 -176.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.483 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 95.8 t -64.41 -51.13 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.541 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.21 -36.98 78.91 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.412 HD12 ' HB2' ' A' ' 62' ' ' LEU . 1.2 tm? -57.52 -57.27 13.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.519 176.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -60.2 -35.86 76.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.411 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 99.1 mt-30 -61.85 -51.02 69.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.692 -178.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 3.5 ttp180 -70.27 -36.33 74.36 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -177.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 86' ' ' ARG . 37.3 ttt-85 -56.89 -50.61 71.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.457 0.646 . . . . 0.0 109.965 175.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.503 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 25.1 t0 -63.59 -32.77 74.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.513 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -65.46 -39.97 92.63 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.821 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 69.9 mm-40 -55.47 -47.4 76.17 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.138 0.494 . . . . 0.0 110.001 177.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' A' ' 90' ' ' LEU . 4.0 mm? -61.45 -45.86 92.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.364 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 60.0 mttm -60.76 -40.66 93.32 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.784 -179.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.472 ' HG2' ' HB2' ' A' ' 97' ' ' PHE . 42.2 tt0 -60.33 -49.28 78.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.146 -177.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -83.5 -5.15 59.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.062 0.458 . . . . 0.0 110.619 -177.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -86.85 -36.53 18.42 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.29 -31.39 54.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.538 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.2 88.53 1.08 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.834 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.472 ' HB2' ' HG2' ' A' ' 92' ' ' GLU . 53.2 t80 -80.34 151.82 29.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.83 0.347 . . . . 0.0 110.641 -177.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.541 ' HG ' ' HB3' ' A' ' 126' ' ' LEU . 13.4 tp -70.54 100.67 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.16 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.526 ' HB2' HD12 ' A' ' 129' ' ' ILE . 36.7 m -126.55 148.11 63.13 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.186 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.421 ' HB3' HD23 ' A' ' 126' ' ' LEU . 73.2 Cg_endo -77.75 154.42 30.44 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.326 2.017 . . . . 0.0 112.217 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -80.28 125.72 30.23 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 41.5 mt -89.68 0.55 56.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -172.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 64.3 p -102.57 -2.89 27.6 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.834 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -94.57 109.06 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.461 ' HA ' HD11 ' A' ' 41' ' ' ILE . . . -66.68 -23.78 66.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.116 -174.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -67.4 -51.39 52.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.294 0.569 . . . . 0.0 109.628 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.573 ' HA ' ' HD2' ' A' ' 110' ' ' PHE . 27.2 m-80 -68.59 -34.23 75.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.25 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 92.3 mmm -64.28 -29.76 70.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.854 0.359 . . . . 0.0 110.302 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -71.06 -43.95 66.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.981 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.573 ' HD2' ' HA ' ' A' ' 107' ' ' ASN . 40.6 m-85 -60.82 -38.91 87.03 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.058 0.456 . . . . 0.0 109.986 175.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -39.52 94.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.001 177.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.2 mtp85 -65.78 -37.84 87.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.036 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -94.73 18.88 10.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.043 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.469 ' HA ' HD11 ' A' ' 120' ' ' LEU . 25.7 t90 -73.8 114.95 12.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.864 0.364 . . . . 0.0 110.463 -177.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -104.09 29.35 6.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.359 0.599 . . . . 0.0 110.474 -176.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 76.2 15.88 81.11 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.121 -175.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.532 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 2.6 m -73.29 122.32 21.79 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.919 -0.641 . . . . 0.0 110.949 -176.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -69.42 -36.55 76.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.882 0.372 . . . . 0.0 110.029 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.73 -29.98 71.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.855 175.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.532 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 10.9 mt -67.4 -21.29 65.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.762 0.315 . . . . 0.0 111.245 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.442 HD11 ' HG ' ' A' ' 21' ' ' LEU . 88.0 mt -75.22 -20.37 59.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.294 0.569 . . . . 0.0 110.025 177.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -91.75 -21.62 20.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.235 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' THR . . . . . 0.418 ' OG1' ' HA ' ' A' ' 120' ' ' LEU . 43.4 p -83.12 -23.35 33.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.081 0.467 . . . . 0.0 110.278 175.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 52.2 mt -78.91 136.11 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.849 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -74.78 68.77 1.75 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.451 0.643 . . . . 0.0 109.693 173.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.541 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . 49.1 mt -80.93 111.76 17.7 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.392 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 98' ' ' LEU . 31.3 pt -107.03 -178.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.685 -176.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.596 ' CB ' ' HB ' ' A' ' 136' ' ' VAL . 51.8 mtt180 -96.9 119.82 36.08 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.187 174.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.526 HD12 ' HB2' ' A' ' 99' ' ' CYS . 66.3 mt -119.91 134.24 64.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.13 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -126.24 152.6 45.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.871 0.367 . . . . 0.0 111.643 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.3 t70 66.16 -71.18 0.09 Allowed 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.844 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -122.93 -80.97 0.63 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.2 0.524 . . . . 0.0 109.728 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.13 38.76 1.23 Allowed Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.495 ' O ' ' HA ' ' A' ' 129' ' ' ILE . 5.2 mm-40 -85.27 151.57 23.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.7 -170.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -91.45 112.33 24.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 -175.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.596 ' HB ' ' CB ' ' A' ' 128' ' ' ARG . 21.7 t -91.78 121.72 42.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 171.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.452 -178.613 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.6 t . . . . . 0 C--O 1.227 -0.118 0 CA-C-O 120.983 0.42 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.07 -16.15 63.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.885 0.374 . . . . 0.0 110.374 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 16.5 mt-10 -108.63 -66.51 1.04 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.696 -175.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.93 -21.89 65.96 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -172.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.15 -17.69 64.88 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 13.1 mmt180 -63.37 -46.49 86.26 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.7 t -70.15 -35.66 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.174 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 76.9 tttt -61.74 -41.5 97.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.693 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.461 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 86.3 t80 -60.39 -48.15 83.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.915 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.501 ' O ' HG23 ' A' ' 31' ' ' VAL . 63.7 mtt -54.49 -48.71 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.487 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -60.67 -52.96 62.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.272 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -63.22 -42.58 99.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.478 -174.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.5 -39.29 85.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.887 HG22 ' HG3' ' A' ' 112' ' ' ARG . 27.3 m -87.4 -9.83 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 111.304 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -92.94 -34.04 13.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.048 0.451 . . . . 0.0 110.293 177.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.9 p -85.01 166.5 16.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.75 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.53 1.58 3.91 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -178.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 m -52.86 -51.94 59.18 Favored 'General case' 0 N--CA 1.452 -0.375 0 O-C-N 123.571 0.544 . . . . 0.0 109.733 172.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -141.22 22.87 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.558 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -76.4 66.78 2.51 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 122.254 1.026 . . . . 0.0 109.047 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.02 -33.91 0.02 OUTLIER Glycine 0 C--N 1.311 -0.827 0 CA-C-N 113.347 -1.751 . . . . 0.0 109.779 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.416 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 14.9 mm100 -83.48 122.81 77.08 Favored Pre-proline 0 N--CA 1.452 -0.366 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 39' ' ' GLN . 26.8 Cg_exo -61.57 -71.94 0.03 OUTLIER 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.669 2.246 . . . . 0.0 112.936 -175.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.544 ' CD1' ' HA ' ' A' ' 105' ' ' ALA . 45.7 mm -127.76 157.32 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -176.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -110.03 -171.97 1.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.281 0.563 . . . . 0.0 111.816 -176.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.435 ' CG ' ' HD1' ' A' ' 46' ' ' HIS . 1.6 p30 -132.7 -167.77 1.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.777 -174.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.574 ' O ' ' HB ' ' A' ' 47' ' ' THR . 10.6 m170 -86.85 -24.12 25.05 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.446 -175.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 48' ' ' ARG . . . -68.78 -43.82 74.91 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.226 0.536 . . . . 0.0 109.626 174.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.474 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 66.8 m80 -73.26 -14.78 61.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.196 175.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.574 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 51.5 m -68.02 -61.15 1.99 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.917 171.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 5.3 ptp180 -57.24 -35.43 69.71 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.386 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.474 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 18.4 mt-10 -55.53 -59.93 4.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.202 176.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.461 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 13.6 m-85 -72.69 -42.29 64.39 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -176.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.41 HD11 ' HA ' ' A' ' 51' ' ' ILE . 10.5 mm -60.72 -51.22 75.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.582 -178.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.78 -30.26 65.35 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.4 -175.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -63.34 -34.52 77.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.03 0.443 . . . . 0.0 110.163 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -67.93 -35.16 77.95 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.8 mt -69.67 -36.17 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 121.466 0.65 . . . . 0.0 109.926 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.03 -26.74 68.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.909 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -46.74 -40.64 13.82 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.178 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -55.79 -42.68 75.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.029 0.442 . . . . 0.0 110.939 -177.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -66.73 -29.63 69.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.728 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.484 ' HA ' ' OD2' ' A' ' 63' ' ' ASP . 22.0 m -74.99 -33.13 61.81 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.159 0.504 . . . . 0.0 110.74 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -75.01 -30.15 61.04 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 172.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 65' ' ' LEU . 38.7 tp -70.26 -25.85 63.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.45 176.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.484 ' OD2' ' HA ' ' A' ' 60' ' ' THR . 28.6 m-20 -59.05 -35.86 74.04 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.862 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -60.12 -38.0 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.558 175.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 62' ' ' LEU . 84.7 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 120.622 0.249 . . . . 0.0 110.674 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.436 ' HG2' ' HB3' ' A' ' 65' ' ' LEU . 29.4 Cg_exo . . . . . 0 CA--C 1.528 0.195 0 CA-C-O 120.576 0.157 . . . . 0.0 112.395 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.9 t 52.47 -95.01 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.699 0.8 . . . . 0.0 112.407 175.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -61.93 -40.15 94.5 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.825 0.345 . . . . 0.0 110.765 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -63.75 -32.57 74.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.165 0.507 . . . . 0.0 110.233 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.486 ' HG3' HD12 ' A' ' 62' ' ' LEU . 49.8 tt0 -76.73 -45.26 29.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.456 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.524 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 74.4 t -63.95 -45.38 97.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.555 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.78 -40.71 89.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.599 HD13 ' HD2' ' A' ' 85' ' ' ARG . 55.0 tp -69.84 -44.76 69.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.375 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.418 ' HA ' HH12 ' A' ' 86' ' ' ARG . 48.2 tt0 -53.04 -35.54 59.61 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.193 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 95.6 mt-30 -65.49 -26.48 67.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.154 -177.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.599 ' HD2' HD13 ' A' ' 82' ' ' LEU . 75.5 mtt180 -60.26 -52.03 67.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.099 0.476 . . . . 0.0 109.939 178.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.692 HH11 ' HB3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -65.55 -41.0 93.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.724 177.862 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -62.9 -40.73 98.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.114 0.483 . . . . 0.0 110.359 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -64.79 -38.41 90.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.409 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.476 ' O ' ' HD1' ' A' ' 93' ' ' PHE . 45.4 mt-10 -65.37 -42.45 92.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.237 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.409 HD23 ' HG2' ' A' ' 86' ' ' ARG . 3.7 mm? -55.24 -41.65 72.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.789 0.328 . . . . 0.0 110.561 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -70.32 -46.98 63.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.51 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -58.73 -51.9 67.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.937 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 130' ' ' ASN . 42.3 m-85 -68.82 -28.46 66.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.644 -177.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -65.58 -33.65 76.41 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.297 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.94 2.52 38.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.97 98.62 1.44 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.233 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.47 ' HD2' ' HG ' ' A' ' 99' ' ' CYS . 60.8 t80 -82.94 153.02 25.26 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -178.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.4 tp -71.71 101.3 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.955 0.407 . . . . 0.0 110.119 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.47 ' HG ' ' HD2' ' A' ' 97' ' ' PHE . 85.1 m -128.29 147.79 65.12 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.907 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -75.99 154.29 37.82 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.068 1.845 . . . . 0.0 112.42 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.24 99.7 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 173.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.8 tp -83.23 -1.53 53.34 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.988 -173.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.9 m -113.06 15.9 19.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.514 -176.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -113.99 138.41 50.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.349 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.544 ' HA ' ' CD1' ' A' ' 41' ' ' ILE . . . -76.57 -31.37 57.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.308 -0.405 . . . . 0.0 112.082 -174.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -76.48 -47.31 23.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.001 0.429 . . . . 0.0 109.954 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -59.01 -45.73 89.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.538 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.502 ' HA ' ' HB3' ' A' ' 111' ' ' LEU . 41.6 ttm -69.02 -21.92 64.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -69.68 -40.56 76.31 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.047 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -68.27 -43.42 77.82 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 172.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.502 ' HB3' ' HA ' ' A' ' 108' ' ' MET . 9.5 tt -56.61 -42.79 79.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.432 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.887 ' HG3' HG22 ' A' ' 31' ' ' VAL . 15.9 ttm-85 -69.37 -13.92 62.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 111.158 -176.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -116.96 11.89 14.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.187 0.517 . . . . 0.0 110.516 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.481 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 70.5 t90 -69.0 110.01 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.369 178.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -92.75 28.09 2.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.956 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.479 ' HA2' ' CZ2' ' A' ' 114' ' ' TRP . . . 81.25 14.62 78.51 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.375 -0.917 . . . . 0.0 110.98 -174.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.713 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 2.0 m -67.62 113.5 5.48 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.263 -0.469 . . . . 0.0 110.624 -178.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -65.73 -43.17 89.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.27 -24.37 73.48 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.483 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.713 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 4.9 tt -64.7 -24.17 67.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.048 0.451 . . . . 0.0 109.935 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.455 HD21 HD13 ' A' ' 124' ' ' LEU . 96.2 mt -61.13 -22.15 64.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.396 . . . . 0.0 110.956 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -77.9 -20.72 52.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.757 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 34.8 p -89.67 -13.89 35.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.264 0.554 . . . . 0.0 109.812 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.455 HD13 HD21 ' A' ' 121' ' ' LEU . 82.3 mt -86.89 140.65 29.43 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.006 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -81.06 84.54 6.47 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.716 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 35.0 mt -96.17 124.5 40.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.178 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 17.5 pt -126.31 -176.53 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.1 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 128' ' ' ARG . 20.9 mtp180 -96.65 118.49 33.23 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.443 HD13 ' HB2' ' A' ' 99' ' ' CYS . 48.2 mt -119.4 128.02 75.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 121.065 0.46 . . . . 0.0 110.349 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 1.003 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 21.9 t-20 -68.91 152.77 44.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.908 177.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.521 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 1.8 t70 -33.37 -43.48 0.12 Allowed 'General case' 0 N--CA 1.475 0.798 0 O-C-N 124.694 1.247 . . . . 0.0 113.666 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.521 ' HG3' ' OD2' ' A' ' 131' ' ' ASP . 50.3 mttp -97.45 37.05 1.39 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.963 0.411 . . . . 0.0 111.909 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 63.88 36.6 93.5 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.333 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 1.003 ' HB2' ' HB3' ' A' ' 130' ' ' ASN . 71.3 mm-40 -99.1 137.48 37.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.818 0.342 . . . . 0.0 111.317 -176.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -66.41 119.1 11.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.759 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 37.5 t -121.99 124.31 71.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.947 0.403 . . . . 0.0 110.992 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 C--N 1.322 -0.604 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 170.326 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.931 0.396 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -56.0 -38.52 70.57 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.396 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -94.03 -60.18 1.8 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.032 -175.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.3 mt -69.05 -31.85 70.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.563 -168.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.34 -31.13 68.29 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.982 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.668 ' HD3' HD13 ' A' ' 51' ' ' ILE . 83.8 mtt180 -65.09 -41.37 95.07 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.44 -42.56 84.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.527 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 11.4 tmtt? -58.16 -45.31 87.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.642 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -56.56 -45.82 81.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.455 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.623 ' SD ' HD21 ' A' ' 102' ' ' LEU . 63.0 mtt -62.75 -49.97 72.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 178.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 111' ' ' LEU . 35.1 tt0 -53.33 -48.2 68.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.299 0.571 . . . . 0.0 110.418 177.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.55 -52.93 63.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.813 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.502 HG11 ' HB2' ' A' ' 36' ' ' PHE . 54.9 t -58.25 -42.42 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.2 t -71.0 -32.73 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.091 0.472 . . . . 0.0 111.411 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -103.16 7.81 38.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.547 -174.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.643 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 35.5 t -122.82 148.05 45.84 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -63.4 1.69 0.5 Allowed 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.5 m -56.6 -54.13 49.61 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.682 0.277 . . . . 0.0 110.725 175.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.502 ' HB2' HG11 ' A' ' 30' ' ' VAL . 71.2 m-85 -141.16 29.22 1.84 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.037 0.446 . . . . 0.0 110.116 176.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.643 ' HB2' ' O ' ' A' ' 33' ' ' SER . 61.0 tttm -66.74 -11.8 56.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.393 -175.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.77 -18.52 72.38 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.557 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -116.34 94.42 42.52 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.7 -29.01 36.6 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.825 2.35 . . . . 0.0 112.41 -177.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.449 HD12 ' HG3' ' A' ' 108' ' ' MET . 21.6 mm -122.08 136.9 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.032 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -114.16 156.35 24.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.056 0.455 . . . . 0.0 110.599 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -93.12 179.39 5.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.463 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.557 ' O ' ' HB ' ' A' ' 47' ' ' THR . 18.3 m-70 -77.05 -24.09 52.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.885 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.64 -39.47 52.21 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -64.98 -23.63 67.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.466 172.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.557 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 99.9 m -61.24 -57.51 12.1 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 171.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.456 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 20.2 ttt180 -55.83 -40.23 72.51 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.335 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.14 -58.44 8.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.277 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -65.94 -36.32 83.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.872 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.668 HD13 ' HD3' ' A' ' 23' ' ' ARG . 23.2 mm -62.99 -46.65 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.987 176.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -64.38 -36.47 84.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.724 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 34.9 t -56.68 -46.39 81.18 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.023 0.439 . . . . 0.0 110.307 177.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -61.86 -44.77 96.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.675 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.628 HG23 ' HE ' ' A' ' 86' ' ' ARG . 36.4 mt -69.62 -33.68 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.69 -30.76 69.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.927 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 53' ' ' SER . 66.3 mtt-85 -78.07 -17.12 57.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.668 -177.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.14 -38.24 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 172.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.403 ' HB2' ' HD2' ' A' ' 86' ' ' ARG . 17.7 t70 -67.27 -20.43 65.64 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.252 177.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.5 m -64.29 -29.55 70.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.48 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -83.81 -29.75 27.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.542 0.687 . . . . 0.0 109.155 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 37.3 tp -67.34 -48.12 68.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.584 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.73 -21.07 61.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -61.94 -41.42 97.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 174.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.7 mt . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.001 174.631 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.843 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 37.0 Cg_exo . . . . . 0 C--O 1.233 0.255 0 CA-C-O 120.717 0.215 . . . . 0.0 111.794 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.0 p -59.17 -31.74 69.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.842 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -86.98 -51.58 5.94 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.856 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.843 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 82.7 mtt180 -59.08 -43.29 91.8 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.2 -47.14 85.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 0.0 110.554 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.44 -43.05 87.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.629 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.9 tp -63.09 -42.48 99.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.705 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.4 tp -67.2 -41.18 86.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.917 0.389 . . . . 0.0 110.221 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -57.96 -48.93 78.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.914 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -71.95 -24.63 61.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.995 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.6 ttp85 -65.94 -46.95 76.3 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.628 ' HE ' HG23 ' A' ' 55' ' ' ILE . 60.3 ttt180 -67.94 -34.61 76.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.854 176.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -55.73 -47.91 76.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.274 175.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -63.89 -43.33 96.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.475 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -57.34 -45.14 84.63 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.304 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.37 -47.56 70.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.072 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.23 -36.71 82.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.861 0.362 . . . . 0.0 110.656 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.32 -40.51 89.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.302 0.572 . . . . 0.0 109.906 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.434 ' CE1' HG22 ' A' ' 51' ' ' ILE . 33.0 t80 -72.57 -28.19 62.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.817 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -74.96 -37.89 61.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.593 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.28 -39.79 28.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.016 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 145.43 112.24 0.77 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.804 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -116.58 154.49 30.39 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.17 -0.308 . . . . 0.0 110.17 -178.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.1 tp -70.12 98.96 1.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.349 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.49 ' HB2' HD13 ' A' ' 129' ' ' ILE . 38.6 m -128.15 141.61 41.85 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.702 ' HA ' ' HA ' ' A' ' 126' ' ' LEU . 64.1 Cg_endo -75.29 147.33 32.71 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.246 1.964 . . . . 0.0 112.853 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -71.02 114.68 9.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.27 176.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.623 HD21 ' SD ' ' A' ' 27' ' ' MET . 44.0 mt -87.19 -16.83 34.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.807 -177.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.7 p -89.16 21.77 3.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.281 0.562 . . . . 0.0 111.152 -172.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -127.52 125.87 41.18 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.547 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.58 -28.06 62.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.002 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 32.2 mttp -69.8 -36.59 75.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.517 ' OD1' HD23 ' A' ' 124' ' ' LEU . 52.1 t30 -71.74 -37.52 70.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.406 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.52 ' SD ' HD13 ' A' ' 111' ' ' LEU . 20.0 mmt -60.45 -32.89 71.81 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.895 0.378 . . . . 0.0 110.502 173.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.478 ' HB3' ' O ' ' A' ' 106' ' ' LYS . 38.4 tt0 -59.35 -48.28 82.22 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.438 ' HB3' ' HG ' ' A' ' 124' ' ' LEU . 59.3 m-85 -59.26 -33.6 71.24 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.514 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.52 HD13 ' SD ' ' A' ' 108' ' ' MET . 19.6 mt -63.11 -32.97 74.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.95 0.405 . . . . 0.0 110.794 175.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -80.91 -1.81 45.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.399 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -105.48 -30.48 9.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.768 0.318 . . . . 0.0 110.693 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.708 ' HA ' HD11 ' A' ' 120' ' ' LEU . 26.6 t90 -64.97 127.31 31.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.164 0.507 . . . . 0.0 110.751 -178.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -126.92 9.99 6.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.569 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 119.96 -14.72 10.4 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.351 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.2 m -57.31 123.66 16.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 111.064 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.506 ' HA ' HD22 ' A' ' 121' ' ' LEU . 85.6 m-85 -71.51 -33.35 69.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.529 -174.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.26 -18.34 69.23 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.546 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.708 HD11 ' HA ' ' A' ' 114' ' ' TRP . 2.3 tt -79.08 -11.61 59.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.087 0.47 . . . . 0.0 110.105 -177.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 118' ' ' PHE . 3.8 mm? -75.57 -5.55 45.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.212 0.529 . . . . 0.0 110.431 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -99.92 -23.2 15.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.98 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 81.7 p -87.32 -33.36 19.23 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.445 0.64 . . . . 0.0 109.42 176.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.517 HD23 ' OD1' ' A' ' 107' ' ' ASN . 0.7 OUTLIER -70.88 131.98 44.57 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.423 169.399 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 100' ' ' PRO . 14.0 mtm180 -79.34 80.16 5.73 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.05 -177.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.702 ' HA ' ' HA ' ' A' ' 100' ' ' PRO . 8.8 mp -94.87 117.09 29.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 171.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.637 HG13 HG13 ' A' ' 129' ' ' ILE . 29.3 pt -112.63 -171.2 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.384 -177.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 29.1 mtm-85 -96.74 103.6 15.53 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.637 HG13 HG13 ' A' ' 127' ' ' ILE . 35.6 mt -113.92 130.93 67.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.146 -174.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -118.63 144.11 46.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.263 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 46.04 -104.29 0.09 Allowed 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.456 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 39.4 tttm -86.53 50.53 2.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.556 0.693 . . . . 0.0 111.13 -169.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.459 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 62.29 25.89 67.18 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.961 175.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -94.56 137.04 34.17 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.013 0.406 . . . . 0.0 110.34 -174.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -77.32 125.38 29.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.198 0.523 . . . . 0.0 110.219 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 17.3 t -82.89 102.23 8.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.245 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 178.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.412 HG11 ' HB2' ' A' ' 22' ' ' ALA . 25.8 t . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 121.532 0.682 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -58.5 -38.95 78.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.704 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -85.44 -51.85 6.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.562 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.13 -35.66 81.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.347 -172.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HB2' HG11 ' A' ' 18' ' ' VAL . . . -60.9 -32.27 71.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.838 0.351 . . . . 0.0 111.466 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -77.03 -27.53 54.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.507 -177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.68 -40.46 84.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.949 174.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.686 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 15.7 tttm -72.15 -28.97 63.59 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.617 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.469 ' O ' HG23 ' A' ' 30' ' ' VAL . 85.8 t80 -61.77 -48.04 82.47 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 174.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.664 ' O ' HG21 ' A' ' 31' ' ' VAL . 65.7 mtt -56.13 -48.33 76.44 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 174.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.524 ' HG3' ' HA ' ' A' ' 112' ' ' ARG . 31.4 tt0 -50.71 -56.81 10.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.39 177.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -45.96 82.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.171 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.558 HG13 ' HB2' ' A' ' 36' ' ' PHE . 94.2 t -63.93 -44.64 98.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -177.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.664 HG21 ' O ' ' A' ' 27' ' ' MET . 12.4 t -75.01 -31.8 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.105 0.479 . . . . 0.0 111.186 -177.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -86.38 -29.79 22.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.964 0.412 . . . . 0.0 111.027 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.498 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 40.7 t -85.67 164.75 17.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.057 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.4 -5.82 12.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.052 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.2 m -50.45 -53.08 32.29 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.836 176.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.558 ' HB2' HG13 ' A' ' 30' ' ' VAL . 14.9 m-85 -142.79 23.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.785 177.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.517 ' HZ3' ' HB3' ' A' ' 37' ' ' LYS . 7.2 ttpm? -65.65 -12.15 50.98 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.19 0.519 . . . . 0.0 110.437 178.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.94 -22.05 76.97 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.764 173.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -116.56 109.92 43.19 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.99 -45.74 30.29 Favored 'Trans proline' 0 N--CA 1.471 0.174 0 C-N-CA 122.813 2.342 . . . . 0.0 113.228 -175.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.499 HD11 ' HA ' ' A' ' 105' ' ' ALA . 16.8 mt -137.84 151.64 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -178.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -95.07 -179.52 4.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.595 0.712 . . . . 0.0 112.054 -174.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.24 166.11 12.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.814 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.491 ' O ' ' HB ' ' A' ' 47' ' ' THR . 11.5 m-70 -71.95 -29.61 64.45 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 171.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.89 -27.14 66.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.498 172.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.35 -21.88 45.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.109 176.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.718 ' HG1' HD13 ' A' ' 102' ' ' LEU . 97.4 m -60.57 -60.24 4.12 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 172.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.747 HH11 ' HB3' ' A' ' 132' ' ' LYS . 19.2 ptt180 -60.45 -32.15 71.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.607 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.39 -56.26 22.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.244 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -69.52 -49.99 49.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.983 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.9 mm -62.31 -48.44 88.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.568 -174.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -69.53 -42.52 74.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.201 -176.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.2 m -60.99 -33.58 73.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.748 0.309 . . . . 0.0 110.949 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -65.9 -37.22 85.52 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.444 ' HA ' ' OE2' ' A' ' 89' ' ' GLU . 69.4 mt -69.52 -42.43 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.354 0.597 . . . . 0.0 110.284 175.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.44 -18.68 65.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.611 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 10.3 ttt180 -63.1 -23.8 67.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.666 0.269 . . . . 0.0 110.96 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.457 ' CG ' HH21 ' A' ' 85' ' ' ARG . 21.7 t0 -63.47 -22.13 66.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.253 0.549 . . . . 0.0 110.035 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.11 -25.34 62.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.012 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.6 m -78.26 -36.17 47.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.173 176.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.5 -35.3 75.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.474 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 59.5 tp -69.72 -27.31 64.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.517 174.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.72 -29.2 70.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.326 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -59.91 -37.78 80.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.943 173.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.36 -179.801 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo . . . . . 0 CA--C 1.529 0.251 0 N-CA-C 111.439 -0.254 . . . . 0.0 111.439 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.1 m -48.66 -48.49 39.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.532 -173.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -89.51 -46.06 8.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.45 -27.43 65.24 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -172.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.458 ' HG3' HD13 ' A' ' 62' ' ' LEU . 53.1 tt0 -71.96 -39.7 69.17 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.72 -35.65 66.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.903 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.32 -42.89 99.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.274 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 1.2 tm? -58.19 -49.65 76.31 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 174.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -58.24 -39.93 80.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.125 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.26 -29.05 65.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.298 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.457 HH21 ' CG ' ' A' ' 58' ' ' ASP . 3.5 tmm_? -68.1 -49.4 61.45 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 174.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -53.7 -42.87 68.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.225 174.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.33 -48.67 72.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.274 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.699 ' HA ' ' HD2' ' A' ' 91' ' ' LYS . 48.9 tt0 -61.77 -36.35 80.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.411 . . . . 0.0 110.869 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.444 ' OE2' ' HA ' ' A' ' 55' ' ' ILE . 22.1 tt0 -65.65 -44.46 86.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.5 178.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -64.9 -26.95 68.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.256 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.699 ' HD2' ' HA ' ' A' ' 88' ' ' GLN . 62.4 mttt -65.51 -52.5 52.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.645 174.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.51 -37.48 87.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.785 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.823 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 49.2 t80 -66.72 -53.06 37.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.144 177.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.736 ' HA ' ' OD1' ' A' ' 130' ' ' ASN . 1.2 ttpm? -81.64 10.55 5.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.687 -171.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -109.5 10.77 25.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.226 0.536 . . . . 0.0 109.842 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.13 80.28 1.49 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.314 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.823 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 60.7 t80 -75.62 145.34 41.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.804 0.335 . . . . 0.0 110.688 -175.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.7 tp -74.37 96.09 2.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.929 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 52.4 t -128.51 142.84 46.1 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.494 -175.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.77 149.97 89.62 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.314 2.01 . . . . 0.0 111.022 172.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.31 -28.67 69.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.366 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.718 HD13 ' HG1' ' A' ' 47' ' ' THR . 81.7 mt 56.53 36.97 28.41 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.115 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.2 m -135.27 -33.48 0.9 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.665 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.66 131.69 35.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.707 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.536 ' O ' ' HG2' ' A' ' 109' ' ' GLU . . . -72.85 -34.61 66.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.208 -175.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -75.42 -33.76 60.97 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.783 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -64.76 -35.88 82.49 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 170.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.414 ' HA ' ' HE3' ' A' ' 108' ' ' MET . 0.0 OUTLIER -63.71 -36.22 83.13 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.022 175.561 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 105' ' ' ALA . 43.2 mm-40 -64.58 -54.84 25.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.381 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -58.9 -32.71 69.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.472 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.411 HD23 ' HE1' ' A' ' 108' ' ' MET . 9.2 tt -62.87 -43.87 97.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.441 177.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.524 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 66.4 mtm180 -75.91 -18.72 59.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.46 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.47 18.24 22.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.981 0.419 . . . . 0.0 111.184 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.686 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 60.7 t90 -81.03 103.13 10.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.254 0.55 . . . . 0.0 110.458 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -88.64 10.18 21.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.705 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 109.7 -5.51 31.07 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.047 176.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.847 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 6.3 m -60.79 127.0 29.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.709 0.29 . . . . 0.0 111.31 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -70.82 -37.43 73.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.327 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -69.07 -15.67 69.88 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.535 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.847 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 3.3 tt -71.76 -25.68 62.14 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.76 -20.28 66.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.399 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -76.67 -17.77 58.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.656 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 42.6 p -94.16 -8.36 39.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.462 0.649 . . . . 0.0 109.971 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 64.5 mt -98.31 130.48 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.287 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.4 mtt85 -78.5 78.74 4.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.918 0.866 . . . . 0.0 110.098 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 35.4 mt -89.14 107.03 18.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.169 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.517 HD11 ' HG3' ' A' ' 135' ' ' GLN . 18.4 pt -106.95 -176.2 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.832 -174.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -96.77 111.05 23.39 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.855 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 48.6 mt -116.01 133.89 61.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.736 ' OD1' ' HA ' ' A' ' 94' ' ' LYS . 60.0 t30 -137.68 162.4 33.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.985 0.421 . . . . 0.0 111.42 -174.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.8 t70 70.87 -87.35 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 114.464 -1.244 . . . . 0.0 112.18 170.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.747 ' HB3' HH11 ' A' ' 48' ' ' ARG . 9.0 mtmp? -135.57 22.79 3.4 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.659 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 109.92 30.72 3.35 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.252 -0.975 . . . . 0.0 113.38 172.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -106.58 144.75 32.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.998 0.428 . . . . 0.0 110.901 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.517 ' HG3' HD11 ' A' ' 127' ' ' ILE . 53.8 tt0 -78.08 120.25 22.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.841 -176.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.6 t -96.8 107.62 20.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.883 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.749 179.719 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.52 ' HA ' ' HB2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.513 0 N-CA-C 111.348 0.129 . . . . 0.0 111.348 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -83.68 -26.74 29.56 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 173.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -84.79 -37.59 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 172.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.52 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 84.8 mt -67.69 -27.84 67.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.899 174.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -62.11 -21.99 65.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.291 176.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 23' ' ' ARG . 42.1 mtt180 -69.91 -37.66 76.03 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.9 t -68.63 -39.36 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.566 173.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -65.3 -33.54 76.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.823 177.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.442 ' O ' HG22 ' A' ' 30' ' ' VAL . 45.5 t80 -59.54 -45.59 91.35 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.626 ' O ' HG21 ' A' ' 31' ' ' VAL . 61.3 mtt -57.49 -47.9 80.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.688 174.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -52.61 -54.09 37.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.051 176.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.09 -47.48 71.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.558 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.494 HG13 ' HB2' ' A' ' 36' ' ' PHE . 77.4 t -62.72 -42.28 95.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 -177.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.626 HG21 ' O ' ' A' ' 27' ' ' MET . 11.8 t -72.22 -15.86 18.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 121.257 0.551 . . . . 0.0 110.63 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -105.04 -1.58 25.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.744 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 t -105.1 164.89 11.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.082 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -65.7 -20.76 66.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.704 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 m -47.78 -48.72 30.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.517 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.494 ' HB2' HG13 ' A' ' 30' ' ' VAL . 22.7 m-85 -141.3 38.37 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.062 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -58.11 -12.36 3.4 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.03 -22.31 39.01 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.83 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -116.65 107.22 46.95 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.917 0.359 . . . . 0.0 111.409 -178.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.48 -28.57 10.04 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.579 2.186 . . . . 0.0 111.302 174.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 105' ' ' ALA . 14.2 mm -121.92 150.73 25.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.426 -178.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.789 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 67.5 m-85 -122.05 -169.89 1.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.164 0.507 . . . . 0.0 111.324 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -122.7 163.79 19.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.296 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.852 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 50.6 m170 -61.38 -23.56 65.87 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.85 74.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.203 0.525 . . . . 0.0 110.19 173.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.449 ' HA ' ' HB3' ' A' ' 49' ' ' GLU . 89.8 m-70 -81.69 -16.48 51.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.082 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.521 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 56.0 m -60.85 -59.18 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 171.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.544 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 23.2 ttt180 -57.98 -39.22 77.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.2 177.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.449 ' HB3' ' HA ' ' A' ' 46' ' ' HIS . 41.8 tt0 -53.46 -55.27 26.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.651 176.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -68.68 -44.77 73.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.758 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 47' ' ' THR . 42.3 mm -62.73 -48.66 87.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.147 -177.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -65.53 -35.44 80.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.843 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.5 m -63.12 -35.66 81.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 110.993 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -72.02 -35.51 69.43 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.487 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 71.0 mt -68.05 -36.27 74.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.15 0.5 . . . . 0.0 110.189 176.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -69.32 -23.01 63.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.416 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -65.76 -12.24 52.35 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.507 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.487 ' HB3' ' O ' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -57.3 -46.08 83.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.984 170.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.448 ' HA ' ' HB3' ' A' ' 62' ' ' LEU . 5.9 t70 -68.23 -21.95 64.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.104 -177.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.6 m -65.72 -47.72 74.41 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.339 175.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.43 -33.83 63.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.073 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.448 ' HB3' ' HA ' ' A' ' 59' ' ' ASP . 54.8 tp -65.43 -31.46 72.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.405 176.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -64.91 -36.69 85.17 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.444 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -62.26 -40.88 97.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.275 175.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 79' ' ' GLN . 80.6 mt . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.74 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.476 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 12.7 Cg_exo . . . . . 0 N--CA 1.457 -0.637 0 N-CA-C 111.313 -0.303 . . . . 0.0 111.313 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.7 t -54.65 -43.46 72.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.961 0.41 . . . . 0.0 110.544 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -66.34 -23.48 66.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.817 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.476 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 17.3 mtm180 -98.61 -45.78 5.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 111.188 -179.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.507 ' HA ' HD12 ' A' ' 65' ' ' LEU . 51.8 tt0 -69.86 -37.13 76.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.807 0.337 . . . . 0.0 110.813 -175.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.3 t -72.86 -30.07 31.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.062 0.458 . . . . 0.0 109.91 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 84' ' ' GLN . 54.6 tp -68.6 -33.93 74.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.207 177.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -64.75 -45.98 84.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -60.61 -19.05 56.76 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.254 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.413 ' HG2' ' HA ' ' A' ' 81' ' ' LEU . 29.1 mm-40 -60.18 -35.73 76.03 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.755 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.4 mtm105 -65.16 -48.52 73.21 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.07 0.462 . . . . 0.0 110.062 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -50.05 -55.62 14.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.013 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.44 -37.96 74.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.761 -177.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.459 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 10.2 tm0? -71.29 -44.5 65.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -176.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -70.93 -25.55 62.8 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.955 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.1 -35.5 69.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.977 0.417 . . . . 0.0 109.96 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 88' ' ' GLN . 43.0 tttm -60.46 -50.12 74.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.372 174.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.83 -28.7 67.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.193 178.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.11 -39.65 90.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.258 0.551 . . . . 0.0 110.157 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -77.51 -35.79 53.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.104 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.42 -25.53 33.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.873 -174.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 117.71 108.78 2.47 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.596 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.438 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 49.1 t80 -95.59 145.58 25.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -176.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.427 ' HG ' ' HB3' ' A' ' 126' ' ' LEU . 21.0 tp -75.5 103.04 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.529 -178.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.783 ' HB2' HD12 ' A' ' 129' ' ' ILE . 12.7 m -128.32 150.4 74.08 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.381 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.97 150.88 49.58 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.054 1.836 . . . . 0.0 111.034 174.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -71.26 107.38 4.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.286 0.565 . . . . 0.0 109.635 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.789 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 12.0 tp -74.78 3.83 7.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.211 -172.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 62.5 m -121.79 11.0 10.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.551 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 108' ' ' MET . 13.7 t70 -92.65 103.53 15.9 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.49 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -56.25 -35.97 68.0 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -168.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.572 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 38.1 tttm -88.98 -25.63 21.92 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 119.769 -0.772 . . . . 0.0 111.156 -176.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.454 ' HB2' ' OD1' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -73.48 -33.08 64.66 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 172.731 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' A' ' 104' ' ' ASP . 94.9 mmm -67.37 -26.04 66.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.83 172.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.572 ' HB3' ' O ' ' A' ' 106' ' ' LYS . 34.8 tt0 -64.03 -49.82 70.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.828 173.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -64.47 -36.83 85.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.081 0.467 . . . . 0.0 110.159 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.412 ' HB3' ' HA ' ' A' ' 108' ' ' MET . 9.0 tt -66.97 -40.71 87.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.951 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.591 ' HE ' HG12 ' A' ' 31' ' ' VAL . 27.2 ttt180 -76.62 -27.3 55.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.76 0.314 . . . . 0.0 110.978 -177.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -105.19 20.76 18.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.186 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -62.4 110.22 1.59 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.51 0.671 . . . . 0.0 110.374 -176.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -76.68 -11.19 59.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.593 -177.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 91.32 58.29 1.47 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.417 -176.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.7 t -140.25 149.73 43.22 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -176.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.54 ' HA ' HD21 ' A' ' 121' ' ' LEU . 71.4 t80 -80.06 -16.12 55.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.01 0.433 . . . . 0.0 110.077 -177.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.2 -34.62 89.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.952 177.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 120' ' ' LEU . 49.4 mt -76.68 -2.36 32.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.79 0.329 . . . . 0.0 111.349 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.54 HD21 ' HA ' ' A' ' 118' ' ' PHE . 4.5 mm? -85.24 -6.49 59.26 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.5 -33.14 17.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.294 171.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 75.9 p -80.41 -34.63 36.05 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.251 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 73.3 mt -75.74 130.43 38.64 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.269 174.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.432 HH12 ' CG ' ' A' ' 104' ' ' ASP . 1.7 mpp_? -104.72 82.28 1.87 Allowed 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.427 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . 10.4 mp -71.53 122.24 20.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.827 177.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.518 HD11 ' HG3' ' A' ' 135' ' ' GLN . 20.6 pt -106.6 177.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.198 -177.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.436 ' HB3' ' HB ' ' A' ' 136' ' ' VAL . 15.1 ttm180 -96.7 119.72 35.69 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.783 HD12 ' HB2' ' A' ' 99' ' ' CYS . 51.9 mt -112.05 129.18 67.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.287 0.565 . . . . 0.0 111.229 -176.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -106.57 129.97 54.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.998 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.524 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 28.6 t70 64.23 -80.98 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.158 0.911 . . . . 0.0 112.812 171.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.697 ' HZ2' ' HB2' ' A' ' 132' ' ' LYS . 10.3 mtmp? -104.86 -69.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.176 0.513 . . . . 0.0 110.963 -178.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.852 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . -157.65 32.68 0.53 Allowed Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 129' ' ' ILE . 1.5 mp0 -83.76 129.53 34.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.38 -0.41 . . . . 0.0 110.065 -177.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.518 ' HG3' HD11 ' A' ' 127' ' ' ILE . 50.8 tt0 -86.43 106.4 17.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.155 0.502 . . . . 0.0 110.654 -175.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.436 ' HB ' ' HB3' ' A' ' 128' ' ' ARG . 3.5 t -82.58 90.36 2.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.61 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.484 HG13 ' HG2' ' A' ' 135' ' ' GLN . 18.5 m . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.95 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t . . . . . 0 C--O 1.221 -0.42 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -74.93 -8.85 57.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.373 0.606 . . . . 0.0 110.059 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -95.72 -46.79 6.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.572 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.7 mt -72.47 -29.23 63.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.011 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.488 ' HA ' ' HB3' ' A' ' 25' ' ' LYS . . . -56.42 -20.09 18.02 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 176.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -65.62 -39.46 91.52 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 70.3 t -73.88 -35.91 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.835 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' HB3' ' HA ' ' A' ' 22' ' ' ALA . 51.0 tptt -56.51 -45.67 80.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.514 175.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -60.18 -44.35 95.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.491 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.446 ' O ' HG21 ' A' ' 31' ' ' VAL . 65.9 mtt -55.49 -45.89 76.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.717 176.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -62.88 -49.0 76.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.77 0.319 . . . . 0.0 110.602 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -60.21 -45.75 92.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.393 -177.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.533 HG23 ' HB2' ' A' ' 36' ' ' PHE . 9.4 p -67.8 -28.81 42.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 120.642 0.258 . . . . 0.0 111.479 -175.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 27' ' ' MET . 74.7 t -77.59 -35.01 21.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.064 0.459 . . . . 0.0 110.754 177.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -89.63 -7.59 54.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.92 -176.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 62.4 p -105.21 164.94 11.45 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -76.63 1.79 15.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.38 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.9 m -59.14 -50.35 74.38 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.994 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.533 ' HB2' HG23 ' A' ' 30' ' ' VAL . 28.5 m-85 -136.1 27.6 3.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 178.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 33' ' ' SER . 4.0 ttpm? -64.84 -14.29 58.87 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.008 0.432 . . . . 0.0 110.818 178.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.06 13.95 60.15 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.089 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.436 ' HG3' ' HD1' ' A' ' 36' ' ' PHE . 25.3 mm-40 -116.09 125.15 28.86 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 176.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -67.7 -70.94 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.433 2.089 . . . . 0.0 111.63 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 105' ' ' ALA . 46.0 mm -131.93 148.42 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.439 ' HD2' ' HE1' ' A' ' 108' ' ' MET . 81.9 m-85 -94.75 -171.81 2.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.39 0.614 . . . . 0.0 111.479 -177.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.68 ' HA ' ' HG ' ' A' ' 103' ' ' SER . 2.2 p30 -135.15 -174.12 3.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.219 -177.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.468 ' O ' ' HB ' ' A' ' 47' ' ' THR . 34.0 m170 -80.63 -21.36 41.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.849 0.357 . . . . 0.0 110.678 -177.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.02 -41.11 78.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.154 0.502 . . . . 0.0 110.013 176.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.449 ' HD1' ' CG ' ' A' ' 43' ' ' ASP . 61.9 m80 -69.17 -25.6 64.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.513 175.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.468 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 97.0 m -60.18 -53.44 57.65 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 170.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 48' ' ' ARG . 9.5 ttp85 -52.72 -47.48 67.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.593 175.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -59.11 -56.49 21.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.728 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -66.58 -46.6 75.44 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.494 ' HA ' ' HD2' ' A' ' 54' ' ' PHE . 46.6 mm -61.85 -39.43 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.886 0.374 . . . . 0.0 110.395 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -62.26 -42.89 99.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.058 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.685 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 85.9 p -61.59 -37.59 84.44 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.62 -178.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.494 ' HD2' ' HA ' ' A' ' 51' ' ' ILE . 49.6 m-85 -58.2 -47.14 84.39 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.916 0.388 . . . . 0.0 110.432 176.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.7 mt -59.79 -40.18 81.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.003 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -77.52 -13.81 59.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.909 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.685 ' HG3' ' O ' ' A' ' 53' ' ' SER . 63.5 mtp180 -82.94 -9.44 59.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.802 0.334 . . . . 0.0 110.752 178.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.79 -24.42 66.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.857 0.837 . . . . 0.0 109.131 171.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.22 -13.65 62.4 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.582 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 m -67.15 -37.1 83.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.788 0.328 . . . . 0.0 110.639 176.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -81.48 -30.55 33.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.217 0.532 . . . . 0.0 109.821 175.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.761 HD12 HD13 ' A' ' 65' ' ' LEU . 31.0 tp -68.22 -26.27 65.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.69 175.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -65.81 -30.37 70.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.203 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -66.11 -27.71 68.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.37 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.816 HD22 ' HG2' ' A' ' 75' ' ' PRO . 76.5 mt . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.517 175.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.816 ' HG2' HD22 ' A' ' 65' ' ' LEU . 23.3 Cg_exo . . . . . 0 CA--C 1.523 -0.052 0 N-CA-C 112.848 0.288 . . . . 0.0 112.848 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.0 m -59.76 -35.24 74.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.733 0.301 . . . . 0.0 111.025 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -72.92 -49.33 30.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.919 0.39 . . . . 0.0 110.514 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.535 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 37.7 mmt180 -68.99 -46.13 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.64 -176.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.488 ' HG3' HD13 ' A' ' 62' ' ' LEU . 50.0 tt0 -58.71 -47.58 84.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.336 -176.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.474 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 99.5 t -68.92 -47.1 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.661 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.29 -34.91 72.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.767 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.444 HD12 ' HD2' ' A' ' 85' ' ' ARG . 50.5 tp -71.45 -49.54 40.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.093 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.416 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 53.3 tt0 -63.19 -28.37 70.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.719 0.295 . . . . 0.0 111.251 -177.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 97.8 mt-30 -60.07 -28.4 67.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.67 0.271 . . . . 0.0 111.26 177.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.444 ' HD2' HD12 ' A' ' 82' ' ' LEU . 99.5 mtt180 -66.03 -49.16 68.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.823 -178.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 83' ' ' GLN . 8.4 ptp180 -69.93 -28.62 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.379 . . . . 0.0 110.187 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -70.55 -41.72 72.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.49 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -63.67 -42.0 98.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.895 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -55.7 -47.73 76.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.828 175.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.8 mt -56.13 -42.97 77.77 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.258 176.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -64.74 -46.41 82.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.358 -178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -69.13 -40.15 78.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.714 0.292 . . . . 0.0 110.567 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.854 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 37.5 t80 -64.16 -39.15 93.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.925 0.393 . . . . 0.0 110.476 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.453 ' HA ' ' N ' ' A' ' 131' ' ' ASP . 65.3 tttp -67.07 -35.59 80.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.15 -27.32 60.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.993 0.425 . . . . 0.0 110.944 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.67 84.67 0.26 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.619 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.868 ' HD2' ' HG ' ' A' ' 99' ' ' CYS . 53.2 t80 -82.03 149.13 28.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.04 98.67 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.989 0.423 . . . . 0.0 110.743 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.868 ' HG ' ' HD2' ' A' ' 97' ' ' PHE . 83.7 m -128.41 148.39 67.81 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.045 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -76.52 142.33 23.3 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.149 1.899 . . . . 0.0 111.881 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.48 109.53 5.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.03 0.443 . . . . 0.0 109.859 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.424 HD23 ' SD ' ' A' ' 27' ' ' MET . 16.8 mt -83.72 -0.56 51.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.126 -175.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.68 ' HG ' ' HA ' ' A' ' 43' ' ' ASP . 67.4 m -97.52 -1.11 44.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.061 0.458 . . . . 0.0 111.112 -178.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.407 ' OD2' ' HB2' ' A' ' 106' ' ' LYS . 18.2 t70 -100.9 116.4 32.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.114 177.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.426 ' HA ' HD13 ' A' ' 41' ' ' ILE . . . -67.12 -23.74 65.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.898 -176.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.407 ' HB2' ' OD2' ' A' ' 104' ' ' ASP . 92.4 mttt -76.14 -48.92 18.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -63.52 -39.5 94.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.807 178.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.439 ' HE1' ' HD2' ' A' ' 42' ' ' PHE . 27.0 ttm -70.3 -25.89 63.53 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.939 178.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -70.97 -39.49 72.49 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -62.41 -46.22 89.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.081 0.467 . . . . 0.0 110.287 172.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.57 -31.75 71.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.707 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -67.54 -34.23 76.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.13 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -106.79 20.73 18.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.489 0.662 . . . . 0.0 110.293 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -61.87 148.08 44.55 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.142 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -132.98 -177.26 4.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.866 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.49 61.31 3.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.53 175.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.0 m -132.84 113.74 13.26 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.676 -0.262 . . . . 0.0 110.488 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.542 ' HA ' HD23 ' A' ' 121' ' ' LEU . 82.5 t80 -64.18 -23.97 67.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.059 0.457 . . . . 0.0 110.446 178.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.18 -21.27 68.0 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.457 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 63.8 mt -77.08 -12.6 59.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.096 0.474 . . . . 0.0 110.744 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.542 HD23 ' HA ' ' A' ' 118' ' ' PHE . 4.0 mm? -79.51 -6.73 57.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.541 0.686 . . . . 0.0 109.236 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -99.71 -30.56 12.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.2 175.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 44.7 p -77.12 -35.44 56.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.764 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.44 139.5 57.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.598 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 mtm-85 -84.41 77.14 10.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.843 0.83 . . . . 0.0 109.016 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 24.0 mt -83.34 121.82 27.65 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.442 -1.254 . . . . 0.0 109.614 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 35.6 pt -118.67 -177.45 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.986 -175.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 43.2 mtt-85 -96.82 127.99 43.34 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.071 174.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 99' ' ' CYS . 53.0 mt -115.64 124.21 71.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.266 174.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.453 HD21 HG21 ' A' ' 136' ' ' VAL . 29.1 p30 -104.12 169.65 8.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.118 0.485 . . . . 0.0 111.972 -171.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.453 ' N ' ' HA ' ' A' ' 94' ' ' LYS . 13.4 t70 50.74 -91.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.887 178.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.45 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 62.7 mttp -149.45 79.91 1.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.411 ' O ' ' HB3' ' A' ' 44' ' ' HIS . . . 76.43 38.46 33.26 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.948 177.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.402 ' HB2' ' OD1' ' A' ' 130' ' ' ASN . 54.8 mt-10 -117.55 156.82 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.619 -0.342 . . . . 0.0 110.499 176.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -84.21 133.82 34.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.183 -168.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.453 HG21 HD21 ' A' ' 130' ' ' ASN . 59.2 t -106.2 136.38 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 169.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.5 t . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 121.204 0.526 . . . . 0.0 110.379 -179.201 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 N--CA 1.456 -0.153 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.4 ' HD1' ' HE2' ' A' ' 54' ' ' PHE . 34.5 t60 -59.28 -19.4 45.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.854 173.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.506 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . 21.3 mt-10 -93.89 -61.0 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.539 177.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.8 mt -68.27 -30.55 69.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -170.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.88 -31.16 69.53 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.071 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.506 ' HE ' ' HA ' ' A' ' 20' ' ' GLU . 54.4 mtm180 -65.11 -52.16 57.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.456 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t -63.19 -38.45 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.166 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HG2' ' HZ3' ' A' ' 114' ' ' TRP . 5.1 tmtt? -57.91 -48.43 79.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.037 177.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -64.65 -46.17 83.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.522 ' O ' HG22 ' A' ' 31' ' ' VAL . 65.7 mtt -55.89 -47.51 77.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.568 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -62.95 -49.34 75.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.186 0.517 . . . . 0.0 110.767 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.91 -40.62 89.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.287 -174.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.528 HG22 ' HB2' ' A' ' 36' ' ' PHE . 9.9 p -75.52 -28.66 20.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.616 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 27' ' ' MET . 98.4 t -77.72 -37.07 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.096 0.474 . . . . 0.0 110.604 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -78.75 -20.59 49.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.695 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.519 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 60.3 p -96.76 167.38 11.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.795 0.331 . . . . 0.0 110.479 177.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.44 -9.22 52.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.749 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.0 m -58.02 -40.83 81.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.317 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.528 ' HB2' HG22 ' A' ' 30' ' ' VAL . 6.2 m-85 -144.08 21.63 1.75 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 33' ' ' SER . 6.8 ttpm? -68.44 -10.01 52.47 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.098 0.475 . . . . 0.0 110.332 178.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.02 -17.88 79.31 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.863 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -116.86 96.6 49.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.508 ' O ' ' HG2' ' A' ' 108' ' ' MET . 31.8 Cg_exo -61.94 -27.79 80.22 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.602 2.201 . . . . 0.0 112.153 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.6 mm -130.1 145.69 35.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.874 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.596 ' HB2' ' HB3' ' A' ' 102' ' ' LEU . 54.7 m-85 -112.79 175.38 5.46 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 175.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -117.79 -172.78 2.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.344 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.55 ' O ' ' HB ' ' A' ' 47' ' ' THR . 37.4 m80 -80.06 -23.62 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.837 -175.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.25 -39.28 75.12 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 177.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -68.99 -21.82 64.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.892 176.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.55 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 53.6 m -60.08 -58.52 8.17 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 170.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.402 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 19.6 ttt180 -53.92 -42.48 68.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.779 176.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.37 -56.8 16.63 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.469 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.2 -42.72 68.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.453 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.5 mm -65.25 -39.86 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.23 -177.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -63.74 -41.24 98.07 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.621 0.248 . . . . 0.0 110.564 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.9 m -65.06 -32.32 73.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.877 0.37 . . . . 0.0 111.018 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.4 ' HE2' ' HD1' ' A' ' 19' ' ' HIS . 81.6 t80 -62.57 -39.71 94.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.063 0.458 . . . . 0.0 109.857 175.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.5 mt -72.69 -36.9 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.06 176.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.19 -33.21 67.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.297 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -74.24 0.85 12.87 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -62.89 -32.3 73.54 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.84 -31.41 71.66 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.152 176.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.4 m -65.36 -47.31 76.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.069 0.461 . . . . 0.0 110.334 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 43.1 mt-10 -68.6 -36.62 78.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.176 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.427 HD11 ' HG3' ' A' ' 79' ' ' GLN . 30.9 tp -58.24 -42.93 87.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.059 175.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.06 -19.07 61.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.794 0.33 . . . . 0.0 110.448 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 54.8 mm-40 -66.91 -41.01 87.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.343 171.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.332 -0.184 0 CA-C-O 121.804 0.811 . . . . 0.0 109.282 172.842 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.648 ' HG2' ' HB2' ' A' ' 79' ' ' GLN . 12.4 Cg_endo . . . . . 0 CA--C 1.53 0.295 0 N-CA-C 112.71 0.235 . . . . 0.0 112.71 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.4 p 45.61 -93.77 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.121 0.968 . . . . 0.0 113.278 175.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -65.15 -37.13 86.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 110.646 -178.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -76.15 -22.73 55.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.688 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.648 ' HB2' ' HG2' ' A' ' 75' ' ' PRO . 51.4 tt0 -71.41 -43.05 67.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.889 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 59.9 t -66.22 -37.54 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.42 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.4 tp -59.02 -33.41 70.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.583 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.408 HD12 ' HB2' ' A' ' 62' ' ' LEU . 3.5 tm? -69.53 -46.82 65.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.889 177.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.542 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 30.5 tt0 -57.52 -35.05 69.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.15 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 97.3 mt-30 -58.9 -20.83 55.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.741 -177.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -63.06 -50.9 68.78 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 83' ' ' GLN . 18.4 ptp180 -69.42 -34.2 74.1 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.3 -175.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.92 -55.34 35.34 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.08 0.466 . . . . 0.0 110.552 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -61.66 -42.2 98.59 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.003 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.513 ' HA ' ' OE1' ' A' ' 89' ' ' GLU . 1.6 tp10 -70.19 -37.1 75.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.628 -176.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.596 ' HA ' ' HD2' ' A' ' 93' ' ' PHE . 53.3 mt -62.16 -35.46 78.87 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 175.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.41 -30.03 70.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.911 176.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.445 ' HB3' ' O ' ' A' ' 89' ' ' GLU . 34.6 tt0 -70.57 -49.38 48.53 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.849 173.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.646 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 82.3 m-85 -58.25 -41.42 84.17 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.943 0.401 . . . . 0.0 111.429 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -74.56 -8.03 55.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.728 -176.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.96 2.08 37.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.86 0.362 . . . . 0.0 111.235 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.87 81.85 1.55 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.497 -0.858 . . . . 0.0 111.392 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.646 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 34.0 t80 -75.22 130.48 39.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.609 0.243 . . . . 0.0 110.977 -174.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.3 tp -69.71 98.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.092 0.473 . . . . 0.0 110.261 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.596 ' SG ' ' HD2' ' A' ' 100' ' ' PRO . 35.9 t -128.19 144.94 53.59 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.578 -176.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.596 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 43.9 Cg_endo -71.1 134.03 24.34 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.952 1.768 . . . . 0.0 110.836 175.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -71.74 104.38 3.38 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.444 -0.502 . . . . 0.0 109.779 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.596 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 68.7 mt -64.68 -24.74 67.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.599 -177.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 p -80.88 -2.14 46.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.973 0.416 . . . . 0.0 111.408 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.492 ' HB3' ' HB3' ' A' ' 107' ' ' ASN . 14.0 t70 -95.83 123.45 39.42 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.854 176.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.47 -36.09 65.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.794 -173.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -68.55 -43.2 77.16 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.627 ' HB2' ' HB2' ' A' ' 125' ' ' ARG . 9.0 t30 -60.02 -45.34 93.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.686 175.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.508 ' HG2' ' O ' ' A' ' 40' ' ' PRO . 48.5 tpp -63.15 -35.13 79.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.671 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -67.62 -43.94 79.23 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.618 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -63.78 -35.52 80.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.925 0.393 . . . . 0.0 110.345 175.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.484 HD21 ' SD ' ' A' ' 108' ' ' MET . 8.8 tt -65.63 -45.55 82.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.361 177.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.5 ttp85 -60.9 -29.59 69.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.32 0.581 . . . . 0.0 111.083 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -106.69 21.48 17.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.579 -173.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.541 ' HZ3' ' HG2' ' A' ' 25' ' ' LYS . 61.2 t90 -69.42 143.25 53.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.688 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -130.51 -171.75 2.63 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.49 62.93 2.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.433 175.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.437 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 23.9 m -131.52 119.04 20.98 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.484 0.313 . . . . 0.0 110.246 -175.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -76.9 -33.43 57.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.079 0.466 . . . . 0.0 110.298 -177.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -70.81 -11.67 69.74 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.928 -0.654 . . . . 0.0 112.539 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.473 ' O ' HD23 ' A' ' 120' ' ' LEU . 2.6 tt -71.45 -22.37 61.84 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.478 HD12 HD13 ' A' ' 124' ' ' LEU . 4.2 mm? -65.64 -26.12 67.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.24 178.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -79.27 -15.0 58.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 80.4 p -99.7 1.96 43.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.451 . . . . 0.0 110.791 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.478 HD13 HD12 ' A' ' 121' ' ' LEU . 58.8 mt -98.05 149.54 22.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.693 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.627 ' HB2' ' HB2' ' A' ' 107' ' ' ASN . 64.2 mtt180 -85.64 74.68 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.63 0.729 . . . . 0.0 110.036 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.4 mt -88.99 125.3 34.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.161 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.447 HG13 HG13 ' A' ' 129' ' ' ILE . 32.8 pt -124.09 177.23 4.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.206 -179.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 -96.91 116.66 29.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.25 0.548 . . . . 0.0 109.863 176.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.514 HG21 ' O ' ' A' ' 130' ' ' ASN . 60.8 mt -122.07 134.07 66.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.427 -175.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.847 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 27.4 t-20 -71.9 152.97 42.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 172.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -47.85 -21.4 0.41 Allowed 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -173.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.451 ' HB2' ' HG3' ' A' ' 134' ' ' GLU . 31.8 mttp -95.4 5.29 52.03 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.112 -0.368 . . . . 0.0 111.871 -178.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 86.71 31.43 18.35 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.23 -175.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.847 ' HB2' ' HB3' ' A' ' 130' ' ' ASN . 50.6 mt-10 -96.92 143.79 27.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.614 0.245 . . . . 0.0 110.382 -176.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -77.14 120.45 22.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.449 -174.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.2 t -116.65 116.83 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.51 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 C--N 1.324 -0.522 0 CA-C-O 120.741 0.305 . . . . 0.0 111.053 -177.319 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.878 0.371 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.416 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 7.8 t-160 -60.67 -31.46 70.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.64 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.499 ' HG3' ' CZ ' ' A' ' 97' ' ' PHE . 2.3 mp0 -91.88 -52.31 4.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.627 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 mt -65.84 -26.59 67.73 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -169.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -25.15 65.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 111.051 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.653 HH12 ' HE2' ' A' ' 93' ' ' PHE . 4.5 ptm85 -72.64 -35.74 67.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.189 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.3 t -71.9 -40.63 68.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.81 -45.77 82.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.412 175.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.452 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 90.0 t80 -63.25 -54.03 43.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.649 178.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.542 ' O ' HG22 ' A' ' 31' ' ' VAL . 65.8 mtt -54.68 -42.61 71.61 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -59.99 -55.17 37.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.213 -179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.6 -36.26 83.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.028 -175.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.97 -42.95 98.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.393 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 27' ' ' MET . 80.2 t -66.67 -34.68 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.233 0.539 . . . . 0.0 110.601 178.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.724 HD22 ' HG3' ' A' ' 112' ' ' ARG . 34.9 m-80 -86.96 -9.23 56.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.906 -174.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 33.0 p -107.99 156.38 19.3 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 177.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -67.85 -3.63 10.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.51 -175.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.2 m -54.5 -46.71 73.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.069 177.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -140.75 20.27 2.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.77 0.319 . . . . 0.0 110.894 176.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 33' ' ' SER . 59.7 tttm -60.92 -22.68 64.61 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.062 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.13 -13.56 64.76 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.211 -0.518 . . . . 0.0 112.531 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -94.62 118.15 66.9 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.46 ' O ' HD12 ' A' ' 41' ' ' ILE . 32.2 Cg_exo -58.65 -63.7 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.138 1.892 . . . . 0.0 111.217 178.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.501 HD13 ' HA ' ' A' ' 105' ' ' ALA . 29.6 mm -128.72 145.26 35.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 175.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.8 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 39.0 m-85 -82.38 -168.02 1.82 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.963 0.411 . . . . 0.0 111.144 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.875 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 18.6 t70 -146.67 170.3 17.24 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -179.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.509 ' O ' ' HB ' ' A' ' 47' ' ' THR . 12.6 m170 -61.71 -22.91 65.76 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.581 0.229 . . . . 0.0 111.309 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.29 73.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.846 0.355 . . . . 0.0 110.579 174.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.21 -24.65 60.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.578 ' O ' HG13 ' A' ' 51' ' ' ILE . 97.8 m -57.82 -57.16 14.0 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 169.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.589 HH11 ' HB3' ' A' ' 132' ' ' LYS . 34.6 ttp180 -50.85 -44.71 59.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.044 176.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -57.36 -47.99 80.2 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.228 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.452 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 11.1 m-30 -72.67 -36.56 67.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.655 -178.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.592 HG12 ' NH2' ' A' ' 23' ' ' ARG . 54.1 mt -66.62 -44.03 90.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.055 178.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -43.93 92.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.307 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 p -72.33 -34.74 68.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -65.27 -17.56 64.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.36 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 51' ' ' ILE . 63.5 mt -95.18 -26.14 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.184 0.516 . . . . 0.0 110.378 172.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -84.16 -6.07 59.34 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.157 -171.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.422 ' H ' ' HG3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -46.26 -43.36 15.54 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.899 0.381 . . . . 0.0 111.518 177.189 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.36 -6.36 39.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -175.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.28 -32.66 73.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 170.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.9 m -67.36 -36.77 82.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.113 174.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -66.08 -47.23 74.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.221 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.3 tp -62.24 -34.72 77.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.509 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.82 -39.78 90.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.725 177.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -66.94 -37.93 85.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.912 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.048 0.451 . . . . 0.0 110.51 177.528 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 CA--C 1.53 0.289 0 N-CA-C 112.439 0.13 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.2 t -47.94 -46.86 32.63 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.933 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -82.58 -51.57 7.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.893 0.377 . . . . 0.0 111.291 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.23 -27.27 68.55 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -172.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -62.49 -36.93 84.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.222 0.534 . . . . 0.0 110.301 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.2 t -69.99 -37.82 73.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.402 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.0 mt -65.13 -35.37 80.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.637 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.99 -46.65 89.88 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.67 -40.03 93.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.254 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -59.43 -32.95 70.67 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.526 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -63.17 -53.68 49.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.535 177.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -66.92 -33.79 76.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.971 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.23 -48.11 81.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.779 177.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -64.48 -49.97 69.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.856 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.573 ' O ' ' HD1' ' A' ' 93' ' ' PHE . 48.3 mt-10 -61.02 -38.83 87.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.16 -40.57 74.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.461 177.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -69.59 -35.02 74.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.662 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -68.46 -44.36 75.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.654 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.738 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 56.8 m-85 -66.48 -32.99 74.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.029 0.442 . . . . 0.0 110.676 177.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -68.95 -31.23 69.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.989 178.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.59 -3.48 34.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.669 -177.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.15 79.58 1.3 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.55 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.738 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 32.3 t80 -82.42 150.15 27.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 -177.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.7 tp -68.92 97.3 0.83 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.089 0.471 . . . . 0.0 110.138 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.434 ' HB3' HD13 ' A' ' 129' ' ' ILE . 36.2 t -128.53 141.95 43.2 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.056 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -64.71 149.57 89.53 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.329 2.019 . . . . 0.0 111.508 174.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 103' ' ' SER . 23.3 t70 -57.29 -37.15 71.97 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.202 176.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.8 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 13.5 tp 74.44 -28.44 0.19 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.062 173.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.875 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 5.5 p -96.09 -0.51 50.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.912 0.386 . . . . 0.0 111.421 178.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -88.79 122.8 32.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 174.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.501 ' HA ' HD13 ' A' ' 41' ' ' ILE . . . -71.81 -28.04 63.33 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -172.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -78.04 -39.29 42.43 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -60.8 -45.78 93.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.483 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -37.73 80.78 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.858 178.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.45 -51.57 62.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.477 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -64.73 -33.04 75.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.015 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.5 tt -61.6 -40.32 94.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.564 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.724 ' HG3' HD22 ' A' ' 32' ' ' ASN . 61.4 ttt180 -64.47 -34.49 78.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.289 0.566 . . . . 0.0 110.627 176.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -96.86 20.96 10.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.643 -173.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.62 ' HA ' HD13 ' A' ' 120' ' ' LEU . 29.9 t90 -72.55 91.38 1.41 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 174.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -66.49 -58.06 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.488 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.31 55.59 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.146 -1.025 . . . . 0.0 112.958 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.678 ' OG1' ' HB2' ' A' ' 120' ' ' LEU . 43.5 p -120.68 160.18 23.82 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.498 ' HA ' HD21 ' A' ' 121' ' ' LEU . 96.5 m-85 -88.05 -20.77 25.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.132 0.492 . . . . 0.0 109.931 173.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -76.53 -25.09 66.2 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.565 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.678 ' HB2' ' OG1' ' A' ' 117' ' ' THR . 1.7 tt -62.44 -25.67 68.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.338 0.59 . . . . 0.0 109.846 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.616 HD12 HD11 ' A' ' 126' ' ' LEU . 3.4 mm? -66.85 -16.2 64.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.899 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -84.03 -28.89 27.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.041 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 56.4 p -83.3 -20.06 35.11 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.248 0.546 . . . . 0.0 110.273 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.476 HD12 HD11 ' A' ' 121' ' ' LEU . 80.6 mt -79.64 136.2 36.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.667 174.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 52.5 ttt-85 -79.76 74.1 6.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.474 0.654 . . . . 0.0 109.262 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.616 HD11 HD12 ' A' ' 121' ' ' LEU . 86.8 mt -87.81 123.79 32.95 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.815 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.54 HD12 ' HG3' ' A' ' 135' ' ' GLN . 11.8 pt -119.62 -177.35 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.49 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.422 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 44.4 mtt180 -103.94 139.03 39.66 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.434 HD13 ' HB3' ' A' ' 99' ' ' CYS . 44.8 mt -134.1 128.21 52.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.309 -174.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.569 HD22 HG22 ' A' ' 136' ' ' VAL . 8.8 m-80 -89.25 105.52 17.85 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.948 176.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.564 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 35.8 t70 51.99 -83.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 166.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.589 ' HB3' HH11 ' A' ' 48' ' ' ARG . 55.9 mttp -85.78 37.57 0.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -171.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.434 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 68.94 32.72 73.69 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.433 178.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -94.85 118.81 32.39 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -178.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.54 ' HG3' HD12 ' A' ' 127' ' ' ILE . 53.3 tt0 -73.97 141.75 45.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.439 0.638 . . . . 0.0 112.08 -168.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.569 HG22 HD22 ' A' ' 130' ' ' ASN . 8.6 t -119.6 106.2 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.172 175.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 121.159 0.504 . . . . 0.0 110.774 179.586 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t . . . . . 0 C--O 1.223 -0.293 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.421 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 10.6 m170 -74.49 -7.66 53.76 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.339 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -83.86 -44.31 14.44 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 168.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.98 -42.84 94.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.941 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.7 -30.13 63.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.784 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 19' ' ' HIS . 62.3 mtt85 -66.03 -36.21 82.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.769 0.319 . . . . 0.0 110.395 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.9 t -69.92 -41.81 79.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.107 175.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 59.2 tttm -67.71 -31.8 72.0 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -62.75 -43.23 99.33 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.502 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.7 mtt -61.72 -45.47 93.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.76 174.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -54.6 -56.96 13.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.928 176.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.71 -45.7 85.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.689 -178.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.3 p -68.47 -28.64 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.432 -176.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 27' ' ' MET . 75.9 t -77.96 -36.92 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.204 0.526 . . . . 0.0 110.376 176.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -81.79 -17.5 47.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.937 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.519 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 30.2 t -93.8 155.54 17.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.792 177.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.34 -5.43 7.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.756 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.3 m -56.8 -50.97 70.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.719 0.295 . . . . 0.0 110.841 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -135.7 24.28 3.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.283 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 33' ' ' SER . 37.0 ttpt -70.02 -1.93 11.23 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.047 0.451 . . . . 0.0 111.139 178.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.41 -56.17 16.87 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.498 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -116.56 108.8 44.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 177.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.78 -18.37 41.84 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.864 2.376 . . . . 0.0 112.764 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.46 HD13 ' HA ' ' A' ' 105' ' ' ALA . 17.2 mm -114.51 139.89 38.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.675 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 94.1 m-85 -119.7 -162.47 0.92 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.599 0.238 . . . . 0.0 110.778 -178.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -132.34 -175.84 3.88 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.61 ' O ' ' HB ' ' A' ' 47' ' ' THR . 32.2 m170 -76.93 -20.24 56.41 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -173.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.13 -40.85 62.37 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.002 0.429 . . . . 0.0 109.879 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.466 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 36.5 m80 -66.76 -25.15 66.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.103 174.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.61 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 75.2 m -56.68 -61.88 2.12 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.094 170.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.545 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 36.0 ttp85 -53.1 -47.04 68.91 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.407 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.466 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 27.7 mt-10 -54.33 -51.6 64.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.779 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.31 -35.65 71.34 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 47' ' ' THR . 67.2 mt -59.16 -51.5 71.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.956 0.407 . . . . 0.0 110.06 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -63.02 -38.24 90.38 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.384 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.7 m -57.78 -42.18 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.733 0.301 . . . . 0.0 111.214 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -72.06 -41.79 67.01 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.384 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.49 HG22 HD22 ' A' ' 90' ' ' LEU . 62.5 mt -67.24 -31.3 52.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.161 0.505 . . . . 0.0 110.4 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -65.06 -39.67 93.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.404 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -74.22 -3.15 28.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.557 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -66.11 -24.76 66.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.777 0.799 . . . . 0.0 109.237 174.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.09 -22.32 66.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.069 177.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.9 m -66.34 -38.67 88.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.787 0.327 . . . . 0.0 111.169 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.82 -39.42 64.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.498 0.666 . . . . 0.0 109.451 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.6 -32.13 73.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.321 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.59 -27.51 66.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.639 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -71.05 -35.69 72.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.167 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.309 177.256 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.586 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 32.9 Cg_endo . . . . . 0 C--O 1.225 -0.148 0 N-CA-C 113.02 0.354 . . . . 0.0 113.02 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.0 p -50.48 -49.54 55.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.917 0.389 . . . . 0.0 110.724 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -60.48 -40.59 91.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.328 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.586 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 43.1 mtt-85 -80.91 -36.25 31.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.218 -172.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.05 -39.95 94.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.439 0.637 . . . . 0.0 109.418 175.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.453 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 70.4 t -72.33 -42.87 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.267 178.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.4 tp -56.99 -37.24 71.37 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.398 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.19 -52.49 65.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.671 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -67.88 -30.72 70.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.906 -178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 86.3 mt-30 -60.27 -50.81 72.17 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.89 -0.141 . . . . 0.0 111.248 178.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.2 ptt85 -71.03 -34.85 71.69 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.516 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -60.59 -42.62 97.08 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.982 0.42 . . . . 0.0 109.996 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.13 -37.93 89.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.354 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -63.57 -48.57 76.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.673 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -63.09 -37.98 89.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.49 HD22 HG22 ' A' ' 55' ' ' ILE . 91.2 mt -68.81 -35.46 77.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.896 175.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -59.71 -49.58 77.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -62.85 -37.24 86.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.624 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.94 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 73.1 t80 -60.69 -47.25 87.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 176.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -69.61 -21.0 63.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -97.83 11.16 38.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.576 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.36 87.78 1.34 Allowed Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.94 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 27.9 t80 -74.51 152.03 39.43 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -176.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.442 ' HG ' ' HB3' ' A' ' 126' ' ' LEU . 23.8 tp -76.38 94.56 3.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.99 0.424 . . . . 0.0 110.137 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.758 ' HB2' HD11 ' A' ' 129' ' ' ILE . 83.4 m -128.12 157.03 75.42 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.663 -178.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -70.57 146.19 54.52 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.445 2.096 . . . . 0.0 111.467 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.25 -36.68 68.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.18 177.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.675 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 18.7 tp 75.41 -16.31 0.59 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.497 0.719 . . . . 0.0 112.537 172.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.1 p -108.15 0.71 21.73 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.127 -0.358 . . . . 0.0 111.531 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.648 ' O ' ' HG2' ' A' ' 108' ' ' MET . 11.9 t70 -96.89 124.31 40.83 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.46 ' HA ' HD13 ' A' ' 41' ' ' ILE . . . -67.72 -33.43 74.88 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -173.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.553 ' HA ' ' HG3' ' A' ' 109' ' ' GLU . 44.0 tttp -75.44 -36.53 60.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.424 0.631 . . . . 0.0 109.969 -178.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -57.84 -38.59 75.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.232 171.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.648 ' HG2' ' O ' ' A' ' 104' ' ' ASP . 90.9 mmm -73.96 -21.03 60.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.12 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.553 ' HG3' ' HA ' ' A' ' 106' ' ' LYS . 40.0 mt-10 -61.27 -54.64 41.45 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 173.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -64.13 -34.87 79.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.267 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.47 -45.54 79.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.765 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.7 ttt85 -71.59 -31.48 66.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.503 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -102.7 21.67 15.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.185 -176.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.472 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 12.9 t90 -72.26 111.33 7.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.25 0.548 . . . . 0.0 110.187 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -96.48 23.4 6.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.107 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 77.52 36.31 34.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.069 -175.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.544 ' HB ' ' HG ' ' A' ' 120' ' ' LEU . 5.2 m -96.24 114.44 26.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.277 -0.462 . . . . 0.0 110.228 -177.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.492 ' HA ' HD22 ' A' ' 121' ' ' LEU . 86.0 m-85 -63.61 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.868 -178.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.23 -18.41 69.25 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.796 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.544 ' HG ' ' HB ' ' A' ' 117' ' ' THR . 50.5 mt -78.73 -9.85 59.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.682 0.277 . . . . 0.0 111.167 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 118' ' ' PHE . 3.9 mm? -78.86 3.6 16.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.942 0.401 . . . . 0.0 110.854 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -119.99 -13.89 8.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.395 174.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 41.4 p -91.24 -32.81 15.62 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.194 177.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.5 mt -59.38 141.26 54.99 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.474 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -79.15 76.81 5.66 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.924 0.869 . . . . 0.0 109.43 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.442 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . 54.9 mt -94.89 111.53 23.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.278 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 24.6 pt -106.46 -173.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.186 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.552 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 25.9 mmm-85 -96.58 111.94 23.88 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 176.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.758 HD11 ' HB2' ' A' ' 99' ' ' CYS . 34.7 mt -110.6 119.87 60.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.32 0.581 . . . . 0.0 111.832 -175.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -100.39 117.56 34.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.604 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 93' ' ' PHE . 2.7 m-20 56.14 -89.7 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 172.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.545 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 50.2 pttt -98.91 33.5 2.32 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -167.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.536 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 86.54 18.72 58.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.015 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -80.89 133.64 35.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.741 0.305 . . . . 0.0 110.461 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -81.42 113.83 19.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.105 0.479 . . . . 0.0 110.85 -177.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 21.4 t -83.93 99.63 6.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.434 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--N 1.321 -0.644 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.013 175.062 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.495 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 60.1 t . . . . . 0 C--O 1.225 -0.219 0 CA-C-O 121.136 0.493 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -92.07 3.93 54.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.931 0.396 . . . . 0.0 110.357 176.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -110.5 -70.35 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.773 0.32 . . . . 0.0 111.184 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.43 ' HG ' HD12 ' A' ' 121' ' ' LEU . 7.0 mp -77.26 -33.73 55.86 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -172.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.495 ' HB1' ' O ' ' A' ' 18' ' ' VAL . . . -63.9 -19.27 64.97 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.451 HH22 ' CD ' ' A' ' 89' ' ' GLU . 42.2 mtt-85 -66.84 -41.21 87.76 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.05 0.453 . . . . 0.0 109.804 177.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.9 t -68.24 -36.87 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.835 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -63.95 -43.16 96.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.238 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.436 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 84.1 t80 -59.37 -46.31 89.01 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.455 177.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.543 ' O ' HG21 ' A' ' 31' ' ' VAL . 65.0 mtt -54.82 -52.52 62.45 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 175.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -55.55 -47.07 76.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.24 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.13 -51.63 68.89 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 178.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 26' ' ' PHE . 95.3 t -59.86 -44.76 94.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -178.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.543 HG21 ' O ' ' A' ' 27' ' ' MET . 63.8 t -63.9 -36.95 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.208 0.527 . . . . 0.0 111.146 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -99.18 6.15 46.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.642 -175.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.521 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 47.1 t -110.9 150.54 29.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 175.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -69.65 -3.38 14.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.074 0.464 . . . . 0.0 110.474 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.1 m -47.92 -51.42 23.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.547 173.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -142.52 28.8 1.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.521 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 33' ' ' SER . 49.1 tttm -62.6 -14.26 40.83 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.513 -176.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.73 -23.2 73.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.914 174.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -116.27 100.99 53.91 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -62.8 -30.54 77.92 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.748 2.299 . . . . 0.0 112.727 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 105' ' ' ALA . 59.0 mt -136.67 138.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.865 0.364 . . . . 0.0 110.473 -178.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -105.65 153.17 22.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.498 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.7 -178.55 7.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.099 0.476 . . . . 0.0 111.036 -176.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.706 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 31.5 m170 -71.83 -25.82 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.806 -175.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.83 78.36 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 175.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -71.36 -21.81 61.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.68 175.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.636 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 37.8 m -56.98 -57.96 10.26 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 168.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.517 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 3.3 ttp180 -51.64 -45.59 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.619 175.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -59.47 -50.57 73.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.369 -177.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.436 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 9.3 m-85 -73.15 -37.48 66.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.605 -178.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.06 -46.44 94.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.983 0.42 . . . . 0.0 109.948 176.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -64.44 -39.86 94.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.916 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -66.31 -33.81 76.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.406 ' O ' ' HB3' ' A' ' 57' ' ' ARG . 53.0 t80 -66.32 -38.28 87.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.92 0.391 . . . . 0.0 110.043 177.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.2 mt -70.52 -29.97 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.653 0.739 . . . . 0.0 109.808 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -73.65 -16.02 61.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.547 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 19.1 ttm180 -61.8 -33.8 74.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.35 173.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.58 -22.25 66.79 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.391 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.26 -24.64 67.96 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.455 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.2 m -62.15 -44.4 96.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.076 0.465 . . . . 0.0 110.767 -178.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.506 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 53.6 mt-10 -69.53 -32.27 70.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.214 178.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.2 tp -67.99 -39.44 83.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.712 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.95 -36.91 83.27 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.88 -38.9 83.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 174.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.626 ' HB3' ' HG2' ' A' ' 75' ' ' PRO . 95.6 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.144 0.497 . . . . 0.0 110.097 175.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.626 ' HG2' ' HB3' ' A' ' 65' ' ' LEU . 5.8 Cg_exo . . . . . 0 N--CA 1.462 -0.354 0 CA-C-O 120.449 0.104 . . . . 0.0 112.07 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.3 p -46.84 -54.05 10.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.119 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -73.46 -41.76 62.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.051 0.453 . . . . 0.0 111.202 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 78' ' ' ARG . 0.8 OUTLIER -69.39 -27.1 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.656 -172.208 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -70.2 -24.35 63.1 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.98 0.419 . . . . 0.0 109.973 174.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.7 t -71.5 -40.05 71.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.786 176.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.64 -34.86 78.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.229 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.615 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.6 OUTLIER -63.54 -44.77 93.25 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 174.576 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -55.97 -47.47 77.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.768 176.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -56.91 -41.51 78.28 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.316 0.385 . . . . 0.0 111.234 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.615 ' HD3' ' HA ' ' A' ' 82' ' ' LEU . 39.2 mtp180 -53.59 -54.06 42.9 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.622 178.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -70.98 -38.39 72.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.248 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -59.25 -43.88 92.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.912 -176.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -68.25 -41.42 81.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.567 177.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 25.6 mm-40 -50.51 -57.47 8.03 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.243 0.544 . . . . 0.0 111.339 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.38 -39.24 93.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.155 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -70.09 -42.79 72.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.929 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.71 -38.11 86.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.026 -178.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.774 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 38.8 t80 -71.24 -36.62 71.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.98 -179.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.422 ' HA ' ' OD1' ' A' ' 130' ' ' ASN . 22.2 mttp -76.8 -5.48 48.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 111.526 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.62 8.47 35.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.143 0.497 . . . . 0.0 110.196 175.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.41 82.63 1.38 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.66 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.774 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 65.7 t80 -84.83 145.47 27.82 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.414 ' HG ' HD22 ' A' ' 126' ' ' LEU . 28.9 tp -70.03 101.5 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.503 -178.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.725 ' HB2' HD11 ' A' ' 129' ' ' ILE . 34.4 m -128.26 147.03 61.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.088 -178.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -70.15 137.09 33.53 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 121.967 1.778 . . . . 0.0 111.375 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -66.32 102.19 0.83 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.089 0.471 . . . . 0.0 110.958 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.409 HD23 ' SD ' ' A' ' 27' ' ' MET . 80.0 mt -79.87 90.41 5.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.727 175.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.3 t -178.13 -47.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.253 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -69.19 133.82 48.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.637 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.492 ' HA ' HD13 ' A' ' 41' ' ' ILE . . . -74.17 -39.05 63.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.108 -175.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -66.62 -37.53 85.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -63.62 -40.65 97.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.122 176.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.512 ' SD ' HG23 ' A' ' 31' ' ' VAL . 42.7 tpp -67.87 -44.15 77.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.376 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 112' ' ' ARG . 42.3 tt0 -67.51 -35.34 78.93 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.278 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -33.53 72.05 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 176.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.41 HD23 ' SD ' ' A' ' 108' ' ' MET . 5.1 tt -64.47 -32.84 74.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.982 174.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 36.0 ttt180 -66.82 -33.98 76.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.579 174.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -88.83 8.68 27.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.511 ' HA ' HD12 ' A' ' 120' ' ' LEU . 66.0 t90 -71.0 131.77 44.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.102 0.477 . . . . 0.0 111.335 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -112.8 -178.09 3.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.404 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.54 64.66 2.52 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.66 175.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.5 m -135.66 123.02 21.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.598 0.237 . . . . 0.0 110.622 -177.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -64.4 -33.44 75.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.349 -178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.44 -22.52 69.57 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.092 -0.575 . . . . 0.0 113.04 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 114' ' ' TRP . 1.2 tt -74.53 -14.04 60.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.567 0.699 . . . . 0.0 109.905 -178.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.43 HD12 ' HG ' ' A' ' 21' ' ' LEU . 96.7 mt -78.68 -7.57 57.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.332 178.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -98.27 -21.22 16.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.928 176.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 68.6 p -87.4 -29.04 21.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.982 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.5 mt -73.66 155.88 38.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.587 172.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -87.36 81.28 7.92 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.976 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.414 HD22 ' HG ' ' A' ' 98' ' ' LEU . 9.3 mp -94.76 122.9 37.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.147 175.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 22.0 pt -123.21 179.05 2.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.354 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -96.63 113.5 25.07 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.346 0.593 . . . . 0.0 109.858 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.725 HD11 ' HB2' ' A' ' 99' ' ' CYS . 54.4 mt -111.22 135.95 48.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.242 -172.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.422 ' OD1' ' HA ' ' A' ' 94' ' ' LYS . 44.0 t30 -118.36 125.44 50.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.972 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 55.48 -102.28 0.15 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.088 -0.96 . . . . 0.0 113.401 176.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.517 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 25.8 pttm -86.12 40.18 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -167.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.706 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 72.1 29.31 66.91 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.067 -1.063 . . . . 0.0 111.64 -179.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -86.02 125.44 33.42 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -74.49 120.76 20.49 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 23.7 t -82.83 97.28 4.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.748 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.453 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.114 177.147 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.46 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 33.3 m . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 121.299 0.571 . . . . 0.0 109.796 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.403 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . 17.4 t-80 -72.81 -5.33 37.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.039 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.626 ' HB3' HD22 ' A' ' 21' ' ' LEU . 25.9 tt0 -115.8 -71.0 0.76 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.052 -174.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 20' ' ' GLU . 1.9 mm? -89.15 -14.6 35.75 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -170.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 18' ' ' VAL . . . -66.6 -23.41 66.18 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.514 -0.475 . . . . 0.0 111.442 -176.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 23' ' ' ARG . 13.3 mtm180 -68.13 -33.54 74.68 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.883 176.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.0 t -67.63 -40.21 83.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.694 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 55.4 tttm -71.21 -32.21 68.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.388 177.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -63.91 -47.17 81.61 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.407 ' O ' HG21 ' A' ' 31' ' ' VAL . 62.0 mtt -56.74 -49.03 76.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.567 174.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -52.13 -56.37 14.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.735 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -56.32 -53.95 51.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.313 -177.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.609 HG13 ' HB2' ' A' ' 36' ' ' PHE . 94.6 t -69.35 -34.3 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -173.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 27' ' ' MET . 95.9 t -80.56 -28.04 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.012 0.434 . . . . 0.0 110.822 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -84.15 -28.84 27.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.95 0.405 . . . . 0.0 110.383 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.516 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 67.9 p -89.56 157.76 17.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.638 ' HA ' ' HB3' ' A' ' 37' ' ' LYS . 8.3 m-20 -66.9 1.95 1.66 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -174.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.5 m -55.57 -53.7 53.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.719 0.295 . . . . 0.0 110.696 175.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.609 ' HB2' HG13 ' A' ' 30' ' ' VAL . 13.2 m-85 -127.38 9.88 6.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.884 0.374 . . . . 0.0 110.862 175.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.638 ' HB3' ' HA ' ' A' ' 34' ' ' ASP . 60.2 tttm -67.18 -13.83 62.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.542 177.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.06 -18.58 69.11 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.003 -0.618 . . . . 0.0 111.981 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -100.61 131.57 23.53 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -62.54 -68.37 0.04 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.292 1.995 . . . . 0.0 111.668 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.1 mm -125.63 152.24 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.656 ' HB2' ' HB3' ' A' ' 102' ' ' LEU . 72.5 m-85 -103.02 -173.07 2.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.413 0.625 . . . . 0.0 111.907 -172.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -130.31 178.98 6.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.714 -176.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.576 ' O ' ' HB ' ' A' ' 47' ' ' THR . 64.4 m170 -81.77 -10.41 59.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.319 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.94 -40.61 62.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.24 0.543 . . . . 0.0 110.207 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -70.45 -19.85 62.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.953 173.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.576 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 94.9 m -62.05 -64.67 0.86 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.166 172.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.696 ' HD3' ' HB3' ' A' ' 132' ' ' LYS . 31.8 ptt85 -53.98 -40.27 66.75 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.751 0.31 . . . . 0.0 110.961 -178.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -63.12 -55.92 21.18 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.666 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -66.43 -36.72 83.5 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.514 HG12 ' O ' ' A' ' 47' ' ' THR . 43.6 mm -62.08 -51.9 66.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -62.11 -36.91 83.19 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.596 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -57.98 -38.44 76.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.984 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.403 ' CE2' ' HA ' ' A' ' 19' ' ' HIS . 64.5 t80 -75.67 -33.79 60.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.739 0.304 . . . . 0.0 110.285 178.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 51' ' ' ILE . 72.6 mt -60.45 -42.58 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.111 0.481 . . . . 0.0 110.364 177.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.23 -30.13 64.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.4 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -62.25 -33.87 75.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.684 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -67.56 -46.83 71.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.209 177.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 32.7 t70 -69.41 -6.77 32.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.676 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.8 m -73.43 -26.58 61.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.875 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -71.35 -24.72 62.15 Favored 'General case' 0 C--N 1.335 -0.057 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.136 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 0.6 OUTLIER -56.46 -45.84 80.68 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.043 174.872 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -55.65 -46.32 77.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.194 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -67.51 -34.89 78.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.122 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 120.986 0.422 . . . . 0.0 110.297 175.462 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.457 -0.655 0 N-CA-C 111.534 -0.218 . . . . 0.0 111.534 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.4 m -48.97 -37.42 20.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.816 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -74.37 -62.67 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -73.54 -24.34 60.11 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -170.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -66.6 -51.58 54.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.109 0.481 . . . . 0.0 109.749 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.511 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 65.9 t -64.57 -40.71 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.849 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 57.5 tp -58.71 -43.98 90.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 177.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -51.97 67.5 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -56.82 -42.48 79.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.72 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 27.8 mt-30 -62.38 -29.52 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.74 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 81' ' ' LEU . 34.2 mtm180 -64.94 -42.04 95.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.227 0.537 . . . . 0.0 109.764 177.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.8 ttp85 -73.6 -41.85 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.568 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -44.8 95.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.365 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -63.94 -42.64 97.27 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.707 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -67.26 -37.36 83.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.1 mt -67.77 -25.59 65.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.768 0.318 . . . . 0.0 111.094 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -70.05 -45.7 66.55 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -71.81 -32.65 67.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.287 176.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -53.31 -39.78 64.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.313 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -69.91 -39.73 76.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.656 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -99.35 3.4 45.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -173.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.461 ' HA2' ' HA ' ' A' ' 130' ' ' ASN . . . 106.27 108.83 3.34 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.937 -178.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -97.08 145.08 26.33 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 -176.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.2 tp -69.77 103.82 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.631 ' HB2' HD13 ' A' ' 129' ' ' ILE . 42.6 m -128.15 147.35 63.08 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.204 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.48 138.08 29.12 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 121.975 1.783 . . . . 0.0 111.247 175.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -74.43 104.59 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.031 0.443 . . . . 0.0 110.589 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.656 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 35.4 mt -71.18 -10.98 60.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.778 -177.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 p -93.96 20.79 7.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.918 0.39 . . . . 0.0 111.115 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.562 ' O ' ' HG2' ' A' ' 108' ' ' MET . 25.1 t70 -127.44 115.49 18.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.147 174.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.54 -39.35 83.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.389 -175.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.434 ' O ' ' HD1' ' A' ' 110' ' ' PHE . 73.9 tttt -68.07 -39.56 82.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.341 -177.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -58.9 -41.4 87.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.096 0.474 . . . . 0.0 110.129 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.562 ' HG2' ' O ' ' A' ' 104' ' ' ASP . 90.4 mmm -66.46 -35.16 79.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.831 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -59.05 -49.59 77.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.763 176.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.434 ' HD1' ' O ' ' A' ' 106' ' ' LYS . 35.8 m-85 -62.91 -42.95 99.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.462 177.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.8 -40.38 95.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.029 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -76.43 -9.02 58.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.759 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -121.44 19.37 11.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.892 0.377 . . . . 0.0 110.666 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.694 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 15.8 t90 -66.46 117.8 9.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.197 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -90.06 8.31 33.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.266 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 90.28 11.32 62.94 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.468 -176.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 13.3 m -79.44 127.12 31.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.364 -0.418 . . . . 0.0 110.924 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -74.82 -26.24 59.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.91 0.386 . . . . 0.0 110.654 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -68.17 -29.82 73.49 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.837 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.555 HD21 ' O ' ' A' ' 120' ' ' LEU . 4.2 tt -65.29 -18.69 65.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.094 0.473 . . . . 0.0 110.252 -178.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' A' ' 124' ' ' LEU . 83.9 mt -64.79 -25.28 67.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.876 0.37 . . . . 0.0 110.49 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -78.68 -12.99 60.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.199 0.523 . . . . 0.0 110.458 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 69.8 p -104.36 9.06 35.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.361 0.601 . . . . 0.0 110.164 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 121' ' ' LEU . 68.8 mt -104.86 151.83 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.064 177.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -88.89 74.36 8.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.44 0.638 . . . . 0.0 109.742 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.9 mt -86.67 105.89 17.23 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.762 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 40.6 pt -108.86 178.26 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.601 -176.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.64 ' HG2' HG21 ' A' ' 136' ' ' VAL . 40.4 ttt180 -101.01 111.74 24.02 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.631 HD13 ' HB2' ' A' ' 99' ' ' CYS . 54.6 mt -104.42 122.62 57.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.031 0.444 . . . . 0.0 110.804 -177.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.461 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . 59.7 t30 -82.62 132.19 35.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.357 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.2 t70 51.38 -91.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 O-C-N 124.443 1.089 . . . . 0.0 112.259 171.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.696 ' HB3' ' HD3' ' A' ' 48' ' ' ARG . 99.4 mttt -132.42 83.24 2.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.114 0.483 . . . . 0.0 111.051 -174.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 70.19 37.16 71.88 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.989 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -114.23 157.25 22.95 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.675 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -94.7 122.6 37.47 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.848 -174.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.64 HG21 ' HG2' ' A' ' 128' ' ' ARG . 91.8 t -85.56 111.03 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.033 0.444 . . . . 0.0 110.368 176.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.4 m . . . . . 0 C--N 1.32 -0.687 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.906 176.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 C--O 1.225 -0.205 0 CA-C-O 120.576 0.226 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -49.89 -34.25 19.67 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.771 0.428 . . . . 0.0 111.681 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -80.59 -45.2 17.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.37 -177.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 mp -71.67 -31.86 67.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.899 0.381 . . . . 0.0 110.03 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.12 -25.26 67.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 176.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.2 ttm-85 -65.87 -43.26 88.88 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.415 ' O ' ' HB2' ' A' ' 27' ' ' MET . 96.9 t -69.17 -37.05 75.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.224 174.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -62.15 -41.25 98.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.755 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.463 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 60.2 t80 -62.55 -41.67 99.05 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.568 ' O ' HG21 ' A' ' 31' ' ' VAL . 59.0 mtt -53.19 -48.67 67.86 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 172.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -56.31 -54.36 46.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.064 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -54.36 -44.74 72.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.874 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 26' ' ' PHE . 69.5 t -59.88 -49.01 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.064 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.652 HG23 ' HG2' ' A' ' 112' ' ' ARG . 20.2 m -90.83 2.75 7.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -173.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -110.15 -23.9 11.01 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.781 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.479 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 79.6 p -93.1 171.96 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 176.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.568 ' HA ' ' HB2' ' A' ' 37' ' ' LYS . 24.6 t70 -76.29 -1.7 27.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.859 0.361 . . . . 0.0 110.8 -177.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.7 m -55.03 -49.52 71.36 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.288 175.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -135.84 26.13 3.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 175.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.568 ' HB2' ' HA ' ' A' ' 34' ' ' ASP . 60.3 tttp -53.92 -30.48 46.5 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.263 176.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.17 -31.51 79.44 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.668 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -116.91 93.04 40.63 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 176.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -76.65 -22.41 12.05 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.432 2.088 . . . . 0.0 113.013 -176.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.465 HD13 ' HA ' ' A' ' 105' ' ' ALA . 27.6 mm -118.97 133.62 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -177.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.525 ' HB3' ' HB2' ' A' ' 46' ' ' HIS . 16.0 m-85 -110.67 152.32 26.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.097 0.475 . . . . 0.0 111.344 -178.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -86.51 165.56 16.16 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 171.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.653 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 65.3 m170 -57.91 -18.17 21.35 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.825 0.345 . . . . 0.0 111.309 178.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.26 -37.82 78.56 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 174.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 83.9 m-70 -78.59 -17.62 55.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.433 178.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.473 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 91.8 m -62.67 -61.88 2.12 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.472 ' HB3' ' HA ' ' A' ' 132' ' ' LYS . 21.6 ptt85 -61.24 -29.81 70.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.243 0.544 . . . . 0.0 109.936 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.98 -63.03 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.011 177.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.463 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 44.1 m-85 -74.72 -40.79 61.09 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -175.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.2 mm -63.44 -50.42 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.028 -177.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.537 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 59.5 tp60 -63.19 -47.02 84.34 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.906 -178.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.45 ' HA ' ' HB2' ' A' ' 56' ' ' GLU . 66.9 m -69.58 -25.29 63.9 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.722 0.296 . . . . 0.0 111.751 -177.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.526 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 50.4 t80 -64.34 -36.81 85.33 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 173.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.425 HG12 ' OE1' ' A' ' 89' ' ' GLU . 63.9 mt -71.73 -43.43 70.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.826 174.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 52' ' ' GLN . 45.5 mt-10 -59.6 -16.39 25.41 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.23 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.526 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 34.4 mtt85 -61.99 -12.05 16.64 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 111.485 174.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -65.86 -26.39 67.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.452 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -31.57 72.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.986 0.422 . . . . 0.0 110.343 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.9 m -75.68 -35.26 60.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.457 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -74.54 -35.47 63.12 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.92 -48.21 79.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.613 174.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.45 -33.67 72.89 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.796 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.5 -48.73 80.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.629 174.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.443 0.64 . . . . 0.0 110.748 178.421 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo . . . . . 0 CA--C 1.527 0.148 0 CA-C-O 120.493 0.122 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.7 m -65.62 -29.36 69.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.897 0.379 . . . . 0.0 111.269 -176.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -79.06 -53.47 6.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.984 0.421 . . . . 0.0 110.55 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -70.57 -39.14 74.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.351 -173.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -62.0 -42.19 98.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.066 0.46 . . . . 0.0 110.855 -175.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.8 t -74.09 -32.48 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.504 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.09 -34.27 75.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.424 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.01 -45.81 91.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.626 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -58.81 -40.88 85.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.69 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -66.76 -20.72 66.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -178.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 24.8 mmt180 -77.8 -34.35 52.19 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 174.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -63.96 -42.68 97.2 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 171.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.45 -45.15 65.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.07 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -62.07 -50.32 72.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.194 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.425 ' OE1' HG12 ' A' ' 55' ' ' ILE . 10.6 mm-40 -53.12 -52.58 58.23 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.946 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 90' ' ' LEU . 4.1 mm? -67.1 -36.86 82.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.71 -177.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -61.53 -49.61 76.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.975 0.417 . . . . 0.0 110.527 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -72.56 -30.36 64.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.619 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.751 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 17.7 t80 -64.26 -40.05 95.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.719 178.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -88.1 0.37 56.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.434 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.12 10.88 33.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.174 0.512 . . . . 0.0 110.147 176.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.59 85.29 1.6 Allowed Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.751 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 22.5 t80 -82.88 142.69 31.28 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -177.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.0 tp -78.21 101.54 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.957 0.408 . . . . 0.0 110.715 -177.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.636 ' HB2' HD11 ' A' ' 129' ' ' ILE . 80.5 m -128.59 157.61 74.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.22 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -81.02 147.17 16.5 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.427 2.085 . . . . 0.0 111.283 174.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -77.72 102.57 7.18 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 42' ' ' PHE . 80.5 mt -64.19 -18.48 64.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.295 -174.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.4 p -88.18 5.09 43.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.739 0.304 . . . . 0.0 111.754 -175.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.411 ' O ' ' HG2' ' A' ' 108' ' ' MET . 15.9 t70 -102.2 106.64 17.51 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 173.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.465 ' HA ' HD13 ' A' ' 41' ' ' ILE . . . -64.75 -25.64 68.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.87 -173.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -73.32 -50.0 24.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.344 0.593 . . . . 0.0 109.78 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.432 HD21 ' HA ' ' A' ' 107' ' ' ASN . 4.4 m120 -67.78 -30.09 69.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.919 176.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.514 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 93.0 mmm -66.37 -28.12 68.4 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.8 174.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -68.3 -37.15 80.33 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.34 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -62.99 -38.83 92.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.031 0.443 . . . . 0.0 110.14 171.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.0 tt -71.56 -42.98 67.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.09 -177.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.652 ' HG2' HG23 ' A' ' 31' ' ' VAL . 52.5 mtp180 -68.32 -25.83 65.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.071 0.463 . . . . 0.0 110.814 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -108.59 21.18 17.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.781 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 44.0 t90 -66.39 157.3 32.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.549 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -147.17 174.66 11.38 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -71.81 63.23 1.23 Allowed Glycine 0 CA--C 1.519 0.343 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.741 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.3 m -133.66 118.18 17.87 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -63.67 -28.98 70.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.93 0.395 . . . . 0.0 110.538 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.12 -20.72 63.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.884 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.405 HD21 ' HA ' ' A' ' 120' ' ' LEU . 48.2 mt -73.69 -11.71 60.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 111.131 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.4 -6.74 59.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.271 0.558 . . . . 0.0 109.549 175.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -96.99 -23.1 16.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.667 174.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 45.4 p -85.33 -18.9 32.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.221 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 58.9 mt -89.73 125.55 35.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.517 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.404 ' HB3' ' OD1' ' A' ' 107' ' ' ASN . 21.0 ttt85 -75.95 82.13 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.695 0.759 . . . . 0.0 109.047 174.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.7 mt -85.49 133.7 34.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.299 -177.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.407 HD12 ' OE1' ' A' ' 135' ' ' GLN . 23.9 pt -122.86 173.61 8.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.447 -175.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 29.9 mtt180 -96.76 125.19 41.04 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.096 0.474 . . . . 0.0 110.277 175.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.636 HD11 ' HB2' ' A' ' 99' ' ' CYS . 54.9 mt -119.45 136.83 55.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.804 -177.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -109.2 122.45 47.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.517 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 42.4 m-20 49.2 -93.42 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 171.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.472 ' HA ' ' HB3' ' A' ' 48' ' ' ARG . 76.2 mttt -87.61 25.46 1.47 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.778 -167.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.653 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 84.86 28.26 32.21 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.3 -0.952 . . . . 0.0 111.476 -177.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -80.92 140.28 35.39 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.407 ' OE1' HD12 ' A' ' 127' ' ' ILE . 57.1 tp60 -78.89 114.56 17.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.389 -174.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.6 t -102.08 100.14 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 173.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.278 -176.57 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.485 HG13 ' HB3' ' A' ' 22' ' ' ALA . 29.2 t . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -57.63 -26.98 62.37 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -92.05 -54.98 3.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.202 0.525 . . . . 0.0 110.292 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.84 -34.38 78.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.573 -172.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.485 ' HB3' HG13 ' A' ' 18' ' ' VAL . . . -65.52 -31.17 72.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.351 . . . . 0.0 111.442 -176.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -70.38 -33.83 71.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.027 0.442 . . . . 0.0 109.982 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.1 t -68.54 -39.31 80.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.262 176.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -70.78 -34.74 72.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.133 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -60.83 -45.65 93.63 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 120.614 -0.434 . . . . 0.0 109.847 175.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.614 ' O ' HG22 ' A' ' 31' ' ' VAL . 67.5 mtt -54.56 -53.91 48.32 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.773 175.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.412 ' HG3' ' HA ' ' A' ' 112' ' ' ARG . 33.4 tt0 -50.49 -54.58 21.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.614 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.0 -43.16 81.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.026 -176.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.666 HG13 ' HB2' ' A' ' 36' ' ' PHE . 59.8 t -78.02 -37.7 23.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.985 -176.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 27' ' ' MET . 98.2 t -65.2 -39.06 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 121.1 0.476 . . . . 0.0 110.058 177.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.45 -18.18 52.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.43 178.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 28.9 t -83.04 153.27 25.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.205 177.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.94 -16.26 63.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.05 0.453 . . . . 0.0 109.877 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.6 m -48.59 -44.99 37.4 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.653 177.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.666 ' HB2' HG13 ' A' ' 30' ' ' VAL . 8.0 m-85 -137.92 15.17 2.87 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.062 0.394 . . . . 0.0 112.062 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 33' ' ' SER . 29.0 ttpt -64.74 -17.35 64.06 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.157 0.503 . . . . 0.0 109.96 175.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.25 -30.15 63.94 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.957 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -95.71 127.57 40.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 176.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.5 -59.29 0.9 Allowed 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.37 2.046 . . . . 0.0 111.079 176.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mm -129.56 153.94 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.008 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.61 ' CE1' HG23 ' A' ' 31' ' ' VAL . 14.1 m-85 -87.0 -165.03 1.18 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.948 0.404 . . . . 0.0 111.772 -174.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -130.9 163.97 26.3 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -176.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.631 ' O ' ' HB ' ' A' ' 47' ' ' THR . 32.6 m170 -71.78 -29.67 64.72 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 174.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.17 -32.77 74.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.385 0.612 . . . . 0.0 109.818 173.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -78.53 -15.28 58.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.329 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.631 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 37.0 m -64.81 -55.62 18.51 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 170.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.504 ' HD3' ' HA ' ' A' ' 132' ' ' LYS . 51.7 ttp180 -54.34 -40.66 68.25 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 121.026 0.441 . . . . 0.0 110.086 177.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -65.49 -44.64 86.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.147 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.34 -37.4 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.982 0.42 . . . . 0.0 111.347 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.511 ' O ' HG13 ' A' ' 55' ' ' ILE . 22.6 mm -66.9 -43.44 89.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.287 176.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -64.36 -37.84 88.92 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.552 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 p -68.08 -36.23 79.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.054 0.454 . . . . 0.0 110.726 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -68.28 -25.66 65.26 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 51' ' ' ILE . 68.7 mt -83.71 -16.62 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.872 0.844 . . . . 0.0 109.744 174.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -76.14 -21.28 56.77 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 173.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -53.51 -54.3 39.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.449 174.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -66.41 -28.68 68.81 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.787 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.1 -28.82 68.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.34 0.59 . . . . 0.0 109.914 173.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 23.6 m -81.78 -27.05 33.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.226 177.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -74.08 -35.52 64.24 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 172.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.624 HD12 HD13 ' A' ' 65' ' ' LEU . 55.7 tp -70.05 -22.42 63.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.127 174.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 60' ' ' THR . 28.6 t70 -64.12 -27.11 68.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.792 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -62.98 -44.03 97.17 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.584 175.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.624 HD13 HD12 ' A' ' 62' ' ' LEU . 91.2 mt . . . . . 0 C--N 1.327 -0.409 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo . . . . . 0 CA--C 1.511 -0.634 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.2 m -62.31 -36.58 82.59 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 173.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -61.15 -30.95 70.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.615 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -98.58 -49.14 4.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.094 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.456 ' HG3' HD13 ' A' ' 62' ' ' LEU . 48.0 tt0 -57.37 -44.55 84.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.815 0.341 . . . . 0.0 111.018 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.507 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 92.5 t -72.44 -41.31 64.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.403 -177.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.72 -41.65 97.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.402 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.6 -45.43 86.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.254 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -61.79 -34.24 75.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.297 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 82.8 mt-30 -56.63 -35.88 68.84 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.552 0.215 . . . . 0.0 111.065 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -69.41 -38.77 78.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.926 0.394 . . . . 0.0 110.261 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.402 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 55.9 ttt85 -63.99 -51.56 63.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.576 177.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.74 -37.38 87.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.208 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -61.69 -47.24 86.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.97 0.414 . . . . 0.0 110.406 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -61.27 -48.16 82.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.011 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 94.7 mt -60.62 -36.59 78.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.24 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -66.27 -31.92 73.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.538 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -73.44 -44.13 58.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -65.08 -28.13 69.25 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.021 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -70.07 -16.88 63.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.612 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -115.4 9.45 15.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 110.367 177.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.54 122.77 2.85 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.148 -177.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -115.35 155.5 27.23 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.2 tp -73.74 106.5 5.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.081 0.467 . . . . 0.0 109.935 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.474 ' HB3' HD12 ' A' ' 129' ' ' ILE . 52.8 t -128.21 142.16 43.66 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.882 -177.235 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.488 ' HG2' ' SD ' ' A' ' 27' ' ' MET . 29.3 Cg_endo -65.87 134.35 37.1 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 121.927 1.751 . . . . 0.0 111.122 175.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.19 130.66 42.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.945 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.557 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 50.6 mt -104.09 23.82 12.39 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.491 -176.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.6 p -113.19 -33.55 5.95 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.457 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -79.19 125.93 30.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.944 0.402 . . . . 0.0 110.176 176.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.01 -24.78 58.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.741 -173.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -74.59 -45.83 42.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -56.17 -45.3 79.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.121 174.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.455 ' HE1' HD21 ' A' ' 102' ' ' LEU . 14.9 mtp -69.21 -30.59 68.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.44 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -70.5 -41.08 73.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.752 0.31 . . . . 0.0 110.347 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -64.27 -38.35 90.75 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.68 -39.37 88.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.422 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.412 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 14.6 mtp85 -70.05 -19.38 63.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.891 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -118.49 19.16 13.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.237 0.541 . . . . 0.0 110.535 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -72.92 142.73 47.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.122 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -134.85 -179.32 5.53 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -70.78 77.21 0.52 Allowed Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.993 -0.623 . . . . 0.0 113.071 -175.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 84.1 m -152.65 125.95 8.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.698 0.285 . . . . 0.0 110.452 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -72.48 -23.43 61.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.721 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -61.94 -34.14 87.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.248 176.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.445 HD22 ' O ' ' A' ' 120' ' ' LEU . 2.0 tt -66.42 -21.15 66.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.589 0.709 . . . . 0.0 109.905 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.468 HD23 HD13 ' A' ' 124' ' ' LEU . 87.1 mt -76.57 0.17 21.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.517 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -93.04 -27.68 16.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.143 172.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 43.7 p -82.14 -31.11 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.468 HD13 HD23 ' A' ' 121' ' ' LEU . 51.1 mt -73.81 111.43 8.96 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.161 172.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 63.7 mtt85 -78.33 73.6 4.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.831 0.824 . . . . 0.0 109.926 176.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 31.3 mt -76.6 127.39 32.72 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.572 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.529 HD11 ' HG3' ' A' ' 135' ' ' GLN . 24.3 pt -106.52 176.12 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.208 -175.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -96.63 111.22 23.45 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 99' ' ' CYS . 38.1 mt -110.77 128.07 67.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.1 -174.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -91.2 120.47 32.15 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.407 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 9.8 p-10 26.62 -73.74 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.504 ' HA ' ' HD3' ' A' ' 48' ' ' ARG . 49.1 mttt -67.49 -15.74 63.83 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -171.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.449 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 110.16 18.14 8.95 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -171.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -83.07 119.29 24.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.865 -0.668 . . . . 0.0 110.178 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.529 ' HG3' HD11 ' A' ' 127' ' ' ILE . 49.6 tt0 -69.34 117.27 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.154 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 31.8 t -82.71 97.68 4.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.192 -177.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 23.1 m . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.979 177.57 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -23.21 66.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 179.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -80.6 -64.13 1.26 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.062 0.458 . . . . 0.0 110.736 174.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.1 -35.12 79.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.438 -171.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.11 -31.12 69.74 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -71.24 -40.95 70.74 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.258 0.551 . . . . 0.0 109.833 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.4 t -68.12 -36.23 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.986 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -62.13 -40.24 95.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.728 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.518 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 75.6 t80 -59.73 -43.39 94.23 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 178.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.474 ' O ' HG23 ' A' ' 31' ' ' VAL . 57.2 mtt -54.39 -50.6 67.16 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.315 174.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -54.77 -53.0 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.013 176.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -56.49 -42.29 78.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.13 -177.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 26' ' ' PHE . 79.7 t -62.44 -41.59 92.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.56 -179.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 27' ' ' MET . 47.8 t -71.39 -35.87 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.068 0.461 . . . . 0.0 111.039 -178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -81.95 -23.17 36.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.375 -176.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 48.1 t -90.49 149.78 22.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.391 -177.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.56 -4.37 11.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.344 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.2 m -57.31 -45.83 83.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.773 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.489 ' HB3' ' HZ ' ' A' ' 42' ' ' PHE . 26.8 m-85 -136.14 17.45 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.208 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 33' ' ' SER . 32.9 ttpt -56.78 -28.89 62.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.852 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.01 -19.2 63.28 Favored Glycine 0 C--N 1.333 0.368 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.778 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -113.65 96.19 39.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -61.83 -31.92 85.41 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.849 2.366 . . . . 0.0 113.032 -174.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.432 HD11 ' HA ' ' A' ' 105' ' ' ALA . 31.1 mm -119.9 147.26 23.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.787 0.327 . . . . 0.0 110.221 -179.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.59 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 64.5 m-85 -115.2 -156.82 0.62 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.787 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 11.6 t70 -157.05 174.78 14.99 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -178.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.442 ' O ' ' HB ' ' A' ' 47' ' ' THR . 15.7 m-70 -63.42 -22.69 67.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.006 0.431 . . . . 0.0 110.365 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.1 83.31 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.477 173.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.546 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 88.1 m-70 -82.9 -17.4 43.85 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.442 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 98.5 m -61.26 -61.8 2.3 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.86 172.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.458 ' HB3' ' C ' ' A' ' 132' ' ' LYS . 49.1 ptt85 -56.73 -42.88 80.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.147 179.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.546 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 29.2 mt-10 -49.91 -61.2 2.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.531 176.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.518 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 14.0 m-85 -74.3 -38.54 63.34 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -174.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.494 ' O ' HG13 ' A' ' 55' ' ' ILE . 34.9 mm -64.49 -46.33 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.939 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 85.2 mm-40 -63.43 -38.0 89.44 Favored 'General case' 0 N--CA 1.461 0.077 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 178.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.4 m -63.84 -37.48 87.55 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 110.661 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 22.4 t80 -67.1 -32.75 74.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 51' ' ' ILE . 68.9 mt -68.1 -29.09 43.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.261 0.553 . . . . 0.0 110.017 175.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 51.9 mt-10 -71.12 -24.59 62.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.434 175.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 54' ' ' PHE . 94.8 mtt180 -66.63 -27.91 68.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.227 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -68.97 -26.19 64.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.327 0.584 . . . . 0.0 109.857 174.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 13.7 t70 -73.38 -22.89 60.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.442 177.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.4 m -63.08 -36.52 83.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.097 0.475 . . . . 0.0 110.226 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -79.39 -21.43 45.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.332 0.586 . . . . 0.0 110.019 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' A' ' 82' ' ' LEU . 49.9 tp -71.26 -37.71 71.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.402 174.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.54 -22.67 60.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.234 176.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -66.73 -30.41 70.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.61 173.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 82' ' ' LEU . 99.9 mt . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.692 173.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.468 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 38.6 Cg_exo . . . . . 0 C--O 1.23 0.118 0 CA-C-O 120.453 0.105 . . . . 0.0 112.127 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 80' ' ' VAL . 1.6 m -59.07 -52.88 63.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.013 0.435 . . . . 0.0 110.878 -178.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -71.37 -46.48 60.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.307 -174.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 79.5 mtt-85 -65.14 -37.83 88.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.308 -174.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.404 ' HA ' HD13 ' A' ' 65' ' ' LEU . 28.3 tt0 -67.14 -38.27 85.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.054 0.454 . . . . 0.0 110.347 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 76' ' ' SER . 92.0 t -70.58 -34.21 56.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.427 177.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.2 tp -59.94 -43.27 95.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.818 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.472 ' HB3' HD11 ' A' ' 62' ' ' LEU . 2.0 tm? -60.64 -47.01 88.13 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 175.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -54.39 -47.66 72.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.532 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -64.17 -38.82 92.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.716 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -66.66 -47.55 72.17 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.38 0.61 . . . . 0.0 110.325 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -60.7 -40.84 93.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.125 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.98 -36.83 84.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.232 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -60.65 -48.46 81.68 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.573 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -71.37 -31.26 67.12 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.481 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.06 -44.17 96.55 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -60.85 -44.02 97.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.127 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.05 -39.41 93.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.66 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.723 ' CE2' ' HA ' ' A' ' 131' ' ' ASP . 31.7 t80 -61.7 -38.56 88.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.172 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -78.04 3.05 15.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.045 0.45 . . . . 0.0 111.404 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.07 -2.51 34.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.083 0.468 . . . . 0.0 110.291 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.19 82.71 1.29 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.787 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.537 ' HD2' ' HG ' ' A' ' 99' ' ' CYS . 34.2 t80 -80.46 155.45 27.06 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -177.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 37.4 tp -78.25 96.06 5.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.119 0.485 . . . . 0.0 110.485 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.574 ' HB2' HD11 ' A' ' 129' ' ' ILE . 80.7 m -128.54 144.23 51.34 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.122 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.646 ' HA ' ' HA ' ' A' ' 126' ' ' LEU . 55.3 Cg_endo -71.49 164.0 37.16 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.086 1.857 . . . . 0.0 111.994 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.96 -43.49 98.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.24 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.59 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 17.1 tp 76.71 -18.68 0.47 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.369 173.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.787 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 4.0 p -106.56 13.92 27.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.159 0.504 . . . . 0.0 111.371 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 13.6 t70 -108.72 131.96 54.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.765 177.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.432 ' HA ' HD11 ' A' ' 41' ' ' ILE . . . -67.2 -40.87 86.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.8 0.333 . . . . 0.0 111.682 -176.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.67 ' HZ2' ' HB2' ' A' ' 106' ' ' LYS . 8.2 mtmp? -68.18 -33.61 74.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.217 0.532 . . . . 0.0 109.706 178.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.489 ' HA ' ' HD2' ' A' ' 110' ' ' PHE . 6.1 t30 -57.47 -41.7 81.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.208 173.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.49 ' HE3' ' HD1' ' A' ' 42' ' ' PHE . 15.9 mmt -67.65 -29.31 68.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.474 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.99 -41.8 99.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.489 ' HD2' ' HA ' ' A' ' 107' ' ' ASN . 51.2 m-85 -60.99 -42.18 97.93 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.643 177.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.16 -47.8 82.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.822 0.344 . . . . 0.0 110.696 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -73.76 -0.44 15.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.45 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -117.9 1.13 12.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.608 176.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.453 ' HA ' HD11 ' A' ' 120' ' ' LEU . 19.8 t90 -74.06 108.57 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.413 0.625 . . . . 0.0 110.69 -175.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -93.32 -16.88 24.21 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.566 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 125.3 -12.18 7.57 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.33 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.482 HG21 ' H ' ' A' ' 119' ' ' GLY . 51.7 m -63.06 122.96 17.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.743 0.306 . . . . 0.0 110.923 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.534 ' HA ' HD21 ' A' ' 121' ' ' LEU . 54.0 t80 -65.53 -20.16 66.22 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.328 -178.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.482 ' H ' HG21 ' A' ' 117' ' ' THR . . . -62.01 -27.83 69.44 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 121.127 -0.558 . . . . 0.0 112.47 177.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.506 HD21 ' O ' ' A' ' 120' ' ' LEU . 2.7 tt -71.3 -21.15 62.11 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 121.176 0.513 . . . . 0.0 109.806 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.534 HD21 ' HA ' ' A' ' 118' ' ' PHE . 4.5 mm? -73.32 -3.47 27.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.156 0.503 . . . . 0.0 110.807 -178.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -92.3 -35.7 13.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.733 172.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 39.6 p -86.96 -31.48 20.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.639 -175.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.485 ' HG ' ' CB ' ' A' ' 110' ' ' PHE . 1.9 tt -69.3 133.33 47.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.184 175.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.442 ' O ' ' HA ' ' A' ' 100' ' ' PRO . 40.9 ttm180 -78.06 85.49 4.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 0.0 111.451 -177.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.646 ' HA ' ' HA ' ' A' ' 100' ' ' PRO . 5.4 mp -103.81 128.07 51.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.684 171.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.413 HG13 HG13 ' A' ' 129' ' ' ILE . 18.9 pt -117.97 -171.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.156 -177.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 58.0 mtm180 -96.51 112.16 24.01 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.574 HD11 ' HB2' ' A' ' 99' ' ' CYS . 23.2 mt -114.42 133.9 59.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.241 -175.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.514 ' HB2' ' CG2' ' A' ' 136' ' ' VAL . 43.1 t-20 -106.12 109.22 21.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.427 -176.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.723 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 11.0 t0 58.45 -82.79 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 166.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.458 ' C ' ' HB3' ' A' ' 48' ' ' ARG . 14.0 mptt -90.97 29.75 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.49 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 82.46 17.05 69.62 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.6 176.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -81.03 135.81 35.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.151 0.5 . . . . 0.0 111.243 -174.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -62.16 118.87 7.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.369 177.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.514 ' CG2' ' HB2' ' A' ' 130' ' ' ASN . 94.1 t -93.0 127.18 45.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.366 -0.379 . . . . 0.0 109.992 173.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 24.1 m . . . . . 0 C--N 1.321 -0.635 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 176.839 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mmm . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.927 0.394 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -104.27 144.35 31.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.589 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -111.0 150.99 28.49 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 168.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -68.9 164.89 21.09 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -67.85 -27.91 67.1 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.047 0.451 . . . . 0.0 110.075 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.0 tt -83.2 133.18 29.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.098 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.44 160.51 17.5 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.81 102.79 0.5 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.997 0.427 . . . . 0.0 110.746 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.31 146.02 45.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.909 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -114.19 165.35 12.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.181 0.515 . . . . 0.0 112.064 -165.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -96.87 147.52 23.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.694 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mp -88.29 -31.65 18.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.97 0.414 . . . . 0.0 110.908 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -93.8 133.39 37.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.72 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -74.4 129.72 38.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.889 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -80.61 149.87 29.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.085 0.469 . . . . 0.0 111.11 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HD2' ' HD1' ' A' ' 118' ' ' PHE . 54.2 mttp -89.47 145.17 25.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.188 173.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -89.41 157.46 18.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.034 0.445 . . . . 0.0 111.039 -174.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.5 m -64.84 -12.58 13.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.225 -174.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -63.66 -27.74 69.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.957 0.408 . . . . 0.0 109.935 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.428 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 2.3 mp0 -91.55 -51.58 5.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.16 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.425 ' HG ' HD11 ' A' ' 121' ' ' LEU . 7.2 mp -70.67 -45.7 64.6 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -171.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -27.42 68.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.033 0.444 . . . . 0.0 110.785 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.428 ' NH2' ' HA ' ' A' ' 20' ' ' GLU . 36.5 ttp180 -62.99 -47.43 83.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.38 177.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.3 t -69.51 -40.14 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.307 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 25' ' ' LYS . 13.0 tmtt? -58.72 -40.49 83.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.536 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.425 ' O ' HG22 ' A' ' 30' ' ' VAL . 76.3 t80 -60.62 -53.09 61.65 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.294 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.475 ' O ' HG21 ' A' ' 31' ' ' VAL . 55.9 mtt -56.15 -46.59 79.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.863 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -58.1 -54.95 41.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.953 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.15 -38.95 80.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.293 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 26' ' ' PHE . 49.4 t -60.7 -41.49 88.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.251 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 27' ' ' MET . 58.8 t -73.4 -37.83 51.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.056 0.455 . . . . 0.0 110.694 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.406 ' OD1' ' HG3' ' A' ' 112' ' ' ARG . 5.8 m-20 -79.22 -17.56 54.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.29 -173.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.558 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 75.6 p -100.63 166.4 10.92 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.71 1.35 6.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.7 0.286 . . . . 0.0 110.868 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.5 m -54.99 -55.38 31.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.332 175.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -136.91 29.38 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.287 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 33' ' ' SER . 8.1 tmtm? -57.73 -32.52 67.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.715 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.91 -16.51 72.6 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.719 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -102.51 113.8 65.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.05 0.452 . . . . 0.0 109.987 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -76.59 -45.61 0.19 Allowed 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.282 1.988 . . . . 0.0 112.475 -178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.436 ' CG2' ' HA ' ' A' ' 103' ' ' SER . 35.5 mm -130.67 151.15 35.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.716 -175.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.669 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 98.7 m-85 -116.47 -170.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.834 0.349 . . . . 0.0 110.401 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -133.04 -171.64 2.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.98 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.689 ' O ' ' HB ' ' A' ' 47' ' ' THR . 15.6 m170 -78.7 -18.66 53.98 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -177.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.05 -42.39 66.34 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 173.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -68.65 -22.73 64.39 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.206 173.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.689 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 22.9 m -55.26 -63.54 1.13 Allowed 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.042 172.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.491 ' HD2' ' HD3' ' A' ' 132' ' ' LYS . 54.6 ttt85 -57.7 -38.71 75.68 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.655 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.19 -57.05 10.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.994 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -77.12 -38.02 52.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.816 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.9 mm -61.98 -47.94 90.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.693 0.283 . . . . 0.0 111.01 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -65.29 -39.51 92.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.597 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.5 m -61.27 -38.55 87.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.742 0.306 . . . . 0.0 110.883 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -63.52 -41.35 98.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.824 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.3 mt -75.38 -52.89 17.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.048 0.451 . . . . 0.0 110.544 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -71.94 -1.39 14.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.269 -173.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -53.75 -25.03 16.94 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.117 0.485 . . . . 0.0 110.309 170.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -62.43 -31.81 72.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.292 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.12 -31.77 66.33 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.465 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.8 m -63.94 -35.37 80.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.363 0.601 . . . . 0.0 109.785 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.65 -39.0 38.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.747 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.527 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 47.4 tp -64.01 -30.8 71.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.338 177.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.2 -34.31 74.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.32 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 32.5 mt-10 -66.91 -31.13 71.52 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.449 176.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.496 HD23 ' HG2' ' A' ' 75' ' ' PRO . 79.7 mt -72.14 -38.13 69.29 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 175.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 85.2 mttt -65.46 -26.8 68.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.88 175.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -74.23 -47.47 35.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.775 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 64' ' ' GLU . 87.6 mttt -73.41 -5.91 42.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.97 -176.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.4 ttp85 -59.07 -33.51 70.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.315 172.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.8 mtm105 -78.42 -12.32 60.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 m -79.27 2.41 21.4 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 175.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.5 t30 72.15 23.44 3.37 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.647 176.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.2 ttm105 -146.3 82.27 9.08 Favored Pre-proline 0 N--CA 1.449 -0.513 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.694 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 68.5 Cg_endo -91.37 139.72 2.46 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.775 2.317 . . . . 0.0 111.928 174.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.496 ' HG2' HD23 ' A' ' 65' ' ' LEU . 3.9 Cg_exo -74.39 91.43 0.96 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.63 2.22 . . . . 0.0 111.287 177.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.9 m -51.6 -42.78 62.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.154 -174.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -88.88 -49.8 6.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.587 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 78' ' ' ARG . 50.3 mtt180 -71.73 -27.56 63.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -169.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.411 ' HG3' HD12 ' A' ' 62' ' ' LEU . 53.3 tt0 -68.25 -33.61 74.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.148 0.499 . . . . 0.0 109.852 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 61.4 t -77.0 -45.48 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.93 176.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.3 tp -57.3 -41.77 80.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.297 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.05 -44.74 94.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.63 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 53.4 tt0 -67.2 -31.66 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.117 0.484 . . . . 0.0 110.908 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 96.5 mt-30 -66.46 -32.18 73.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.096 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -67.07 -36.47 82.09 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.408 ' HB3' ' O ' ' A' ' 83' ' ' GLN . 32.2 ttm180 -56.65 -46.11 81.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.379 176.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -56.69 -42.88 79.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.633 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -65.29 -47.61 76.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.396 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.87 -41.01 97.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.318 . . . . 0.0 111.056 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.9 mt -66.58 -31.45 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.649 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -69.98 -35.36 74.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.344 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -71.29 -37.18 71.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.758 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.685 ' HD1' ' HB2' ' A' ' 97' ' ' PHE . 41.5 t80 -64.43 -40.22 95.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.233 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.86 -20.71 65.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.651 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -99.48 16.88 21.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.374 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.06 94.12 1.18 Allowed Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.698 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.685 ' HB2' ' HD1' ' A' ' 93' ' ' PHE . 3.3 t80 -75.39 143.21 42.89 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 44.5 tp -73.73 94.15 2.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.141 0.496 . . . . 0.0 109.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 44.2 t -128.04 145.75 56.54 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.607 -175.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.601 ' HB3' HD22 ' A' ' 107' ' ' ASN . 18.1 Cg_exo -65.11 151.41 85.72 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.977 1.784 . . . . 0.0 110.107 169.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -63.7 -29.83 71.0 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.669 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 10.9 tp 73.75 1.67 4.0 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.841 170.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.436 ' HA ' ' CG2' ' A' ' 41' ' ' ILE . 57.8 m -116.16 -13.11 11.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.033 0.444 . . . . 0.0 111.57 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.493 ' O ' ' HG2' ' A' ' 108' ' ' MET . 12.0 t70 -83.8 119.62 25.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.049 176.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.46 -19.98 62.15 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -173.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -74.09 -50.11 21.01 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.601 HD22 ' HB3' ' A' ' 100' ' ' PRO . 43.2 t30 -58.35 -45.29 88.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.622 176.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.523 ' SD ' HD11 ' A' ' 102' ' ' LEU . 91.3 mmm -64.31 -29.99 71.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.006 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -78.34 -38.21 42.64 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.04 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -63.16 -39.74 95.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.037 0.446 . . . . 0.0 109.92 171.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.65 -35.69 74.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.224 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.406 ' HG3' ' OD1' ' A' ' 32' ' ' ASN . 51.1 ttp180 -70.51 -31.76 68.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.988 176.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -97.62 19.44 13.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.798 -173.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.592 ' HA ' HD11 ' A' ' 120' ' ' LEU . 45.1 t90 -72.18 103.4 3.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.18 0.514 . . . . 0.0 110.296 176.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -93.24 36.37 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.597 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 68.95 39.48 85.11 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.471 -0.871 . . . . 0.0 111.01 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.721 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 7.6 m -98.49 131.09 45.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.536 -0.332 . . . . 0.0 110.627 -175.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.561 ' HD1' ' HD2' ' A' ' 16' ' ' LYS . 93.5 m-85 -79.0 -39.63 33.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.504 -177.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.6 -26.78 72.08 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.072 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.721 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 0.9 OUTLIER -68.15 -20.73 64.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.261 0.553 . . . . 0.0 109.987 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.425 HD11 ' HG ' ' A' ' 21' ' ' LEU . 97.1 mt -77.12 -2.57 34.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.735 -178.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -106.86 -22.69 12.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.263 0.554 . . . . 0.0 109.654 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 48.4 p -88.73 -12.62 41.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.882 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 120' ' ' LEU . 79.7 mt -76.07 153.59 36.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.664 177.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 125' ' ' ARG . 21.3 ttt180 -83.93 73.41 10.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.649 0.738 . . . . 0.0 109.234 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 83.9 mt -97.98 127.84 44.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.568 -176.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 19.6 pt -129.02 -179.25 2.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.998 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.472 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 10.7 mtp180 -100.32 116.52 32.48 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 176.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.547 HG23 HG21 ' A' ' 47' ' ' THR . 40.6 mt -114.9 132.44 64.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.31 -175.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -113.87 135.7 53.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.311 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.404 ' OD2' ' HG2' ' A' ' 132' ' ' LYS . 29.3 t0 56.98 -93.76 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 169.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.491 ' HD3' ' HD2' ' A' ' 48' ' ' ARG . 43.7 mmtm -101.23 14.93 30.43 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -171.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.661 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 103.47 32.39 4.56 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 119.876 -1.154 . . . . 0.0 111.166 -176.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -84.4 141.99 30.45 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -177.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -78.2 113.92 16.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.62 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.472 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 59.5 t -93.92 115.39 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.344 178.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.2 m -123.87 150.54 28.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.116 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -72.99 -26.57 70.72 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.167 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 127.71 86.73 0.55 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.461 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -114.66 5.26 15.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.098 0.475 . . . . 0.0 110.607 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.492 -0.766 . . . . 0.0 109.812 179.485 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 120.641 0.258 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -102.45 22.26 13.77 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -173.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.24 165.0 28.57 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.663 -175.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.38 136.06 44.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.496 170.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -69.48 -40.95 76.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.043 0.449 . . . . 0.0 110.087 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.533 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 9.0 pt -120.63 95.05 3.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.366 172.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.3 -53.06 3.46 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.304 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.99 -31.74 72.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.942 0.401 . . . . 0.0 110.826 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -100.85 17.48 22.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.085 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 82.3 tttt -84.57 -13.5 51.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.448 0.642 . . . . 0.0 109.581 177.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -119.15 131.93 55.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.331 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.7 mt -76.93 118.99 20.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.902 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -105.83 99.05 8.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.69 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -93.3 147.95 22.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.188 0.518 . . . . 0.0 111.325 -178.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -102.99 106.27 16.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.323 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -92.46 -17.73 24.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.183 -172.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -93.22 10.62 31.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.35 0.595 . . . . 0.0 109.847 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.41 HG21 ' HB2' ' A' ' 22' ' ' ALA . 9.2 p -59.69 -13.47 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.495 -178.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -53.43 -31.11 43.78 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.027 0.442 . . . . 0.0 110.441 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.598 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 44.9 mm-40 -95.11 -35.66 11.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.028 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.42 ' N ' HD13 ' A' ' 21' ' ' LEU . 5.9 mp -83.12 -26.81 30.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -170.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' HB2' HG21 ' A' ' 18' ' ' VAL . . . -56.5 -30.21 62.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.164 0.507 . . . . 0.0 110.909 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.598 ' NH2' ' HA ' ' A' ' 20' ' ' GLU . 2.2 ptp180 -75.82 -35.38 60.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.524 -177.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.43 -41.02 42.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.009 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -67.56 -35.8 79.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.303 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.499 ' O ' HG23 ' A' ' 30' ' ' VAL . 83.3 t80 -61.16 -49.27 77.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.365 176.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.6 mtt -58.04 -41.78 83.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.881 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -61.01 -44.96 96.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.979 0.419 . . . . 0.0 110.857 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -61.66 -44.11 97.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.446 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.784 HG11 ' HB2' ' A' ' 36' ' ' PHE . 58.9 t -68.8 -39.44 80.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.068 -174.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.0 m -74.02 -27.36 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 120.929 0.395 . . . . 0.0 111.506 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -84.11 -20.7 32.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.258 0.552 . . . . 0.0 110.655 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 36.8 t -89.93 159.91 16.69 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.718 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -72.13 -5.0 32.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.64 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.457 HG21 ' HD2' ' A' ' 36' ' ' PHE . 72.0 m -52.9 -56.48 15.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.728 174.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.784 ' HB2' HG11 ' A' ' 30' ' ' VAL . 10.4 m-85 -136.36 25.96 3.18 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 33' ' ' SER . 36.4 ttpt -66.89 -12.6 59.89 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.432 0.634 . . . . 0.0 110.0 176.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.36 -20.45 76.85 Favored Glycine 0 C--N 1.334 0.428 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.23 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -116.06 97.3 49.15 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 120.54 0.21 . . . . 0.0 110.508 176.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.24 -28.32 72.68 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.371 2.047 . . . . 0.0 111.147 175.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 102' ' ' LEU . 33.7 mm -124.36 130.38 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.342 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -90.07 142.08 28.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.439 0.638 . . . . 0.0 111.816 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -82.85 173.24 12.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.364 172.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.647 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 25.2 m170 -86.94 -14.35 42.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.573 -173.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.2 -49.01 60.43 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 172.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -69.03 -22.09 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.375 174.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.534 ' OG1' ' HA ' ' A' ' 44' ' ' HIS . 53.8 m -58.92 -54.81 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 171.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -60.09 -40.06 88.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.07 0.462 . . . . 0.0 110.024 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.41 -49.35 76.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.602 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -69.04 -46.56 67.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.619 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 47' ' ' THR . 68.9 mt -58.45 -49.44 82.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.956 0.408 . . . . 0.0 110.892 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -64.9 -35.25 80.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.757 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.7 t -66.52 -33.21 75.17 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.103 0.477 . . . . 0.0 110.242 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -62.37 -47.63 83.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.189 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.4 mt -74.29 -17.43 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 121.711 0.767 . . . . 0.0 110.286 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.833 ' HA ' HH21 ' A' ' 86' ' ' ARG . 33.2 tt0 -80.57 -21.82 41.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.595 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.599 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 3.5 tmt_? -59.4 -23.98 63.07 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.65 178.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -68.39 -9.29 47.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.124 -0.36 . . . . 0.0 111.698 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -30.71 70.86 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.8 m -63.71 -37.9 89.07 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.26 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.72 -45.72 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.118 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.456 ' HG ' ' HE2' ' A' ' 66' ' ' LYS . 24.2 tp -64.49 -33.5 76.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.839 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.86 -44.13 97.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.708 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -69.4 -27.67 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.179 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.88 -31.83 72.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.345 0.593 . . . . 0.0 109.691 173.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.456 ' HE2' ' HG ' ' A' ' 62' ' ' LEU . 60.8 mttm -80.49 -11.19 59.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.553 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -99.26 -32.68 11.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.656 -176.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.04 -1.93 34.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 111.835 -175.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -139.54 172.53 12.67 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -73.82 140.42 45.79 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.3 -0.56 . . . . 0.0 109.644 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.1 m -57.4 -17.62 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -172.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -63.4 -39.2 93.86 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.346 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -157.43 88.59 2.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 121.653 0.74 . . . . 0.0 111.37 175.513 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.571 ' HB2' HE21 ' A' ' 79' ' ' GLN . 2.8 Cg_exo -77.66 178.69 7.3 Favored 'Trans proline' 0 CA--C 1.534 0.505 0 C-N-CA 123.223 2.615 . . . . 0.0 110.978 173.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.623 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 1.5 Cg_endo -47.62 101.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.08 2.52 . . . . 0.0 113.017 177.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.7 m -67.82 -29.44 68.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.589 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -86.7 -42.14 13.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.349 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.623 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 65.1 mtt-85 -70.87 -31.57 68.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -175.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.571 HE21 ' HB2' ' A' ' 74' ' ' PRO . 64.2 mt-30 -65.66 -38.79 90.32 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.417 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 94.6 t -71.32 -40.97 74.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.201 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.5 tp -60.04 -40.55 89.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.505 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.8 -43.81 74.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.237 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -56.6 -40.57 75.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.937 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 97.6 mt-30 -60.03 -38.72 83.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.476 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.588 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 5.1 ttp180 -74.15 -37.65 63.96 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.833 HH21 ' HA ' ' A' ' 56' ' ' GLU . 43.2 ttt180 -68.52 -34.82 76.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.527 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -65.52 -38.51 89.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.165 0.507 . . . . 0.0 109.88 174.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' A' ' 85' ' ' ARG . 27.8 tt0 -58.91 -39.46 81.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.562 176.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 3.9 mm-40 -62.41 -46.36 88.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.892 177.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.42 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.4 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -57.39 -46.26 83.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.675 176.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.83 -36.49 72.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.299 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.989 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 47.0 t80 -65.45 -46.52 79.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.319 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.541 ' O ' ' HD3' ' A' ' 94' ' ' LYS . 9.2 tmtm? -70.3 -20.78 62.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.233 0.54 . . . . 0.0 110.222 -177.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.32 4.66 53.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.471 176.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.26 89.49 2.11 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.067 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.989 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 17.1 t80 -78.47 141.44 38.24 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -178.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 127' ' ' ILE . 30.3 tp -74.14 93.4 2.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.079 0.466 . . . . 0.0 111.325 -176.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.583 ' HB2' HD11 ' A' ' 129' ' ' ILE . 75.7 m -128.18 159.31 67.76 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.19 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.26 147.06 71.52 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.472 2.114 . . . . 0.0 111.455 175.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 103' ' ' SER . 3.4 m-20 -53.33 -36.28 61.12 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.251 176.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 102' ' ' LEU . 20.9 mt 71.45 -26.78 0.17 Allowed 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 114.717 -1.129 . . . . 0.0 112.519 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.452 ' H ' ' C ' ' A' ' 101' ' ' ASP . 20.8 m -85.99 17.36 3.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.108 0.48 . . . . 0.0 110.781 -175.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -126.79 136.64 52.67 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.233 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.21 -30.41 57.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.868 -174.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 106' ' ' LYS . 29.0 mmtp -79.31 -32.73 43.56 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -58.53 -50.91 72.06 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 170.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 43.5 tpp -61.8 -30.34 70.75 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.309 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.457 ' HG3' ' NH2' ' A' ' 112' ' ' ARG . 33.8 tt0 -65.01 -52.63 55.01 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 122.181 -0.324 . . . . 0.0 110.608 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.402 ' HB3' HD22 ' A' ' 124' ' ' LEU . 29.4 m-85 -58.0 -39.97 79.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.988 0.423 . . . . 0.0 110.638 176.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.72 -38.0 85.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.782 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.457 ' NH2' ' HG3' ' A' ' 109' ' ' GLU . 29.0 ttp85 -72.64 -41.36 65.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.428 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -86.57 7.69 25.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.318 0.58 . . . . 0.0 110.537 -176.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -68.42 141.64 55.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.821 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -127.53 -170.16 2.18 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -73.39 62.32 1.85 Allowed Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.877 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.5 m -131.5 105.41 7.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.968 0.413 . . . . 0.0 110.174 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -69.71 -16.35 63.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.439 -178.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -73.94 -10.41 80.68 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.336 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.8 mt -83.67 -0.98 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.488 HD21 HD12 ' A' ' 124' ' ' LEU . 58.6 mt -78.26 -12.25 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.166 0.507 . . . . 0.0 110.37 178.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -94.2 -24.87 17.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.979 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 63.1 p -82.74 -32.27 27.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.211 0.529 . . . . 0.0 110.231 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.488 HD12 HD21 ' A' ' 121' ' ' LEU . 20.3 mt -63.86 139.14 58.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.854 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -75.95 93.97 3.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.421 173.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 80.1 mt -118.81 137.48 53.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.158 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 98' ' ' LEU . 43.9 pt -123.17 -173.09 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.265 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.539 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 42.1 mtp180 -104.57 119.36 38.8 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 175.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.583 HD11 ' HB2' ' A' ' 99' ' ' CYS . 38.2 mt -110.41 132.63 58.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -178.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -127.24 144.48 51.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.35 -175.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 62.82 -78.34 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 172.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -134.86 36.1 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.906 0.384 . . . . 0.0 111.77 -171.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.647 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 92.34 17.78 44.87 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 119.939 -1.125 . . . . 0.0 111.994 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -80.67 137.84 36.34 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -79.83 117.35 20.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.022 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.539 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 59.2 t -82.28 112.45 20.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.393 -176.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 18.4 m -116.31 167.9 8.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 171.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -101.58 -150.77 23.95 Favored Glycine 0 N--CA 1.442 -0.954 0 C-N-CA 120.302 -0.951 . . . . 0.0 111.68 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -86.09 -9.15 77.51 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -85.71 -31.57 22.39 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.474 -178.449 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.4 mtp . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 120.636 0.255 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -117.44 7.59 12.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.108 0.48 . . . . 0.0 110.498 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.81 2.91 54.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.647 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -89.06 135.92 33.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.016 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.67 94.11 5.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.199 0.523 . . . . 0.0 110.963 -178.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.3 mt -84.36 135.93 23.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.903 178.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.67 173.67 11.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.967 0.413 . . . . 0.0 111.468 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.66 167.12 19.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.844 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -86.47 37.89 0.76 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.507 -176.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -138.66 145.7 40.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.869 0.366 . . . . 0.0 110.909 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -123.87 170.2 10.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.547 172.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.6 mt -89.59 -18.96 25.57 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.729 0.299 . . . . 0.0 111.06 -175.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 70.48 10.44 7.18 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.521 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 58.13 53.92 6.28 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.975 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -88.86 -3.5 58.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.34 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -69.0 120.36 14.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.736 -177.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 17' ' ' ARG . 52.0 mtt-85 -98.21 -169.02 1.74 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.196 0.522 . . . . 0.0 111.241 -177.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.421 HG12 ' O ' ' A' ' 18' ' ' VAL . 29.2 t -95.69 -0.86 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.975 174.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -70.8 -36.33 72.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.323 0.582 . . . . 0.0 109.892 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -81.36 -27.24 34.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.477 175.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.3 mt -74.98 -36.8 62.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.143 0.497 . . . . 0.0 110.205 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.28 -19.88 62.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.251 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -42.94 93.05 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.485 HG22 ' HG3' ' A' ' 100' ' ' PRO . 69.6 t -70.59 -42.76 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.291 178.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.2 tttm -61.13 -41.04 96.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.89 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.458 ' O ' HG22 ' A' ' 30' ' ' VAL . 76.3 t80 -59.57 -47.49 85.34 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 176.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.656 ' O ' HG23 ' A' ' 31' ' ' VAL . 66.2 mtt -59.56 -48.12 82.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.49 178.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.548 ' HG3' ' HA ' ' A' ' 112' ' ' ARG . 38.4 tt0 -55.78 -47.11 77.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.999 0.428 . . . . 0.0 110.328 178.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.98 -46.68 88.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.347 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 36' ' ' PHE . 77.2 t -62.73 -43.18 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.654 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 27' ' ' MET . 61.2 t -61.65 -36.11 71.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.362 0.601 . . . . 0.0 110.444 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.54 HD22 ' HG3' ' A' ' 112' ' ' ARG . 53.9 m-80 -94.51 3.58 54.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.888 -178.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.8 t -100.01 150.42 22.45 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 1.003 ' HA ' ' HB2' ' A' ' 37' ' ' LYS . 21.7 m-20 -70.45 -4.51 22.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.221 0.534 . . . . 0.0 110.384 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.414 HG23 ' CD1' ' A' ' 36' ' ' PHE . 26.3 m -58.12 -44.64 87.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.445 172.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.471 ' HB2' HG11 ' A' ' 30' ' ' VAL . 50.2 m-85 -138.32 30.88 2.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.559 0.695 . . . . 0.0 109.966 177.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 1.003 ' HB2' ' HA ' ' A' ' 34' ' ' ASP . 17.0 tptm -52.78 -35.13 56.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.021 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.32 15.29 63.59 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.031 -176.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -116.28 94.52 42.66 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 178.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.406 ' O ' ' HG2' ' A' ' 108' ' ' MET . 29.0 Cg_exo -62.67 -48.07 7.89 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.919 2.413 . . . . 0.0 112.267 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.7 mm -115.97 148.91 18.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.49 ' CE1' HG21 ' A' ' 31' ' ' VAL . 42.4 m-85 -111.94 127.93 56.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.362 0.601 . . . . 0.0 111.366 -176.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.31 155.41 21.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.183 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -62.54 -24.89 67.75 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 48' ' ' ARG . . . -68.16 -35.31 77.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.42 173.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -74.75 -38.66 62.18 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.631 ' HG1' HD12 ' A' ' 102' ' ' LEU . 87.2 m -56.59 -51.13 69.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.181 0.515 . . . . 0.0 110.045 171.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 1.057 ' HG3' ' HB3' ' A' ' 132' ' ' LYS . 14.0 ttt180 -42.69 -52.05 5.05 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.805 174.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -73.08 -43.28 62.05 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.169 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.69 -44.45 96.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 47' ' ' THR . 68.5 mt -61.13 -49.24 85.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.403 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -64.2 -44.08 93.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.812 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.4 t -66.87 -33.52 75.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.342 -177.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -64.0 -40.23 95.9 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.681 HG22 ' HB2' ' A' ' 86' ' ' ARG . 83.6 mt -63.13 -42.17 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.181 176.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.3 -19.04 63.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.575 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.404 HH21 ' HA ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -71.11 -30.26 66.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.437 179.563 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.404 ' HA ' HH21 ' A' ' 57' ' ' ARG . 11.9 t70 -67.08 -31.73 72.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.339 0.59 . . . . 0.0 110.13 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.06 -23.13 67.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.506 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.2 m -74.83 -26.99 60.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.514 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' CD ' HH12 ' A' ' 85' ' ' ARG . 54.3 tt0 -82.66 -33.18 27.85 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 174.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.688 ' HB2' HD11 ' A' ' 82' ' ' LEU . 54.5 tp -62.18 -32.03 72.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.016 172.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.596 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -63.41 -31.16 72.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.636 -179.094 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.668 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 6.1 mm-40 -60.15 -38.49 83.27 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.38 175.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 98.1 mt -73.7 -29.78 62.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.558 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.471 ' HD2' ' HA ' ' A' ' 63' ' ' ASP . 83.1 mttt -64.26 -48.68 74.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.54 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 63' ' ' ASP . 5.4 ptmm? -73.69 -14.28 61.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.236 -176.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.668 ' HG3' ' O ' ' A' ' 64' ' ' GLU . 83.9 mttt -71.14 -17.41 62.56 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.294 0.569 . . . . 0.0 109.849 174.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.7 ttm-85 -71.75 -27.38 62.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.8 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -72.77 -23.86 60.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.38 0.61 . . . . 0.0 109.668 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 m -80.59 4.02 19.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.632 174.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 t30 73.98 25.66 1.85 Allowed 'General case' 0 CA--C 1.523 -0.068 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.855 177.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.488 ' NE ' ' HA ' ' A' ' 73' ' ' ARG . 0.4 OUTLIER -119.01 84.76 27.41 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.16 173.818 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 74.3 Cg_endo -79.44 116.65 3.61 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.413 2.075 . . . . 0.0 112.481 178.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 74' ' ' PRO . 10.0 Cg_endo -88.5 107.24 0.51 Allowed 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.055 2.503 . . . . 0.0 111.782 176.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.5 m -73.14 -72.8 0.23 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.968 0.413 . . . . 0.0 110.568 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -76.49 -35.04 58.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.948 -176.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -65.59 -29.83 70.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.606 -174.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -73.52 -34.52 65.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.091 0.472 . . . . 0.0 109.809 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.481 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 62.1 t -66.93 -39.99 84.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.068 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -55.56 -39.88 71.22 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.301 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.688 HD11 ' HB2' ' A' ' 62' ' ' LEU . 1.6 tm? -67.28 -53.84 26.17 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 87' ' ' ASP . 46.0 tt0 -51.32 -38.49 53.28 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.448 -178.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 26.7 mt-30 -60.12 -25.05 65.17 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -177.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.446 HH12 ' CD ' ' A' ' 61' ' ' GLU . 97.8 mtt180 -49.21 -64.1 0.91 Allowed 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.714 0.769 . . . . 0.0 110.134 177.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.681 ' HB2' HG22 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -91.61 -6.3 52.49 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.227 -172.403 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 83' ' ' GLN . 0.5 OUTLIER -76.82 -36.89 56.57 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 172.827 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -66.83 -39.99 87.85 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.182 170.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.455 ' HB2' ' HA ' ' A' ' 86' ' ' ARG . 42.3 mt-10 -59.92 -33.21 71.58 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.93 176.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 85.4 mt -69.7 -33.29 72.32 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.043 0.449 . . . . 0.0 110.722 176.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -64.88 -40.67 95.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.289 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -83.45 -26.08 30.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.166 0.508 . . . . 0.0 110.078 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.47 ' HB3' ' O ' ' A' ' 90' ' ' LEU . 68.2 t80 -52.12 -42.17 63.09 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.217 1.007 . . . . 0.0 110.372 174.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -62.1 -30.77 71.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.782 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -111.18 14.42 21.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.83 0.347 . . . . 0.0 111.109 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.547 ' HA2' ' HA ' ' A' ' 130' ' ' ASN . . . 87.85 124.85 2.12 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.079 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.503 ' HD2' ' HG ' ' A' ' 99' ' ' CYS . 43.5 t80 -95.82 154.78 17.05 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 54.7 tp -75.27 98.63 3.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.031 0.444 . . . . 0.0 111.005 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.503 ' HG ' ' HD2' ' A' ' 97' ' ' PHE . 71.7 m -128.6 145.24 55.26 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.257 177.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.789 ' HA ' ' HA ' ' A' ' 126' ' ' LEU . 33.7 Cg_endo -67.08 150.84 82.42 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.351 2.034 . . . . 0.0 112.613 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.23 109.98 8.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.098 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.631 HD12 ' HG1' ' A' ' 47' ' ' THR . 34.8 mt -92.16 0.86 57.47 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -177.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.8 p -98.26 12.11 35.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.949 0.404 . . . . 0.0 111.552 -175.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.412 ' HB3' ' ND2' ' A' ' 107' ' ' ASN . 23.5 t70 -127.4 137.98 52.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.319 176.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.4 -26.4 55.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -174.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -77.73 -36.22 51.07 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.489 HD22 ' HD3' ' A' ' 125' ' ' ARG . 94.2 m-20 -63.73 -45.16 91.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.135 174.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.448 ' SD ' HG22 ' A' ' 31' ' ' VAL . 39.8 tpp -62.54 -33.85 75.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.925 0.393 . . . . 0.0 110.457 175.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.13 -51.06 69.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.238 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -64.55 -33.65 76.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.737 0.303 . . . . 0.0 110.863 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.439 ' HG ' HG13 ' A' ' 24' ' ' VAL . 9.9 tt -66.83 -40.47 88.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.544 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.548 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 58.9 ttt180 -77.94 -33.09 51.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.142 0.496 . . . . 0.0 110.491 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -87.37 19.21 3.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.704 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.642 ' HA ' HD11 ' A' ' 120' ' ' LEU . 16.7 t90 -68.18 112.14 4.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.115 0.483 . . . . 0.0 109.784 178.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -86.56 -2.09 58.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.309 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.25 -0.36 60.1 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.449 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.8 t -82.41 141.59 32.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.524 ' HA ' HD22 ' A' ' 121' ' ' LEU . 67.5 t80 -72.42 -25.01 61.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.185 -177.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.89 -26.06 68.46 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.268 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.642 HD11 ' HA ' ' A' ' 114' ' ' TRP . 1.6 mt -69.02 -16.46 63.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.093 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.524 HD22 ' HA ' ' A' ' 118' ' ' PHE . 4.2 mm? -81.15 -9.06 59.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.047 0.451 . . . . 0.0 110.408 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -93.44 -19.01 21.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.772 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.516 ' OG1' HD23 ' A' ' 120' ' ' LEU . 71.4 p -98.15 -33.5 11.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.427 0.632 . . . . 0.0 110.202 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 120' ' ' LEU . 0.5 OUTLIER -71.48 130.06 40.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.468 176.229 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.489 ' HD3' HD22 ' A' ' 107' ' ' ASN . 8.3 ttt180 -81.77 95.13 7.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.304 0.574 . . . . 0.0 111.075 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.789 ' HA ' ' HA ' ' A' ' 100' ' ' PRO . 8.8 mp -98.61 130.46 45.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.146 171.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 20.6 pt -126.18 -172.85 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.087 0.47 . . . . 0.0 111.165 -173.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.523 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 10.8 mmm180 -96.96 122.12 39.6 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.451 HD12 HG22 ' A' ' 47' ' ' THR . 37.9 mt -118.9 121.22 66.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.007 0.432 . . . . 0.0 110.25 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.547 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . 23.7 t-20 -91.54 136.18 33.31 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.881 -172.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.7 t70 52.94 -97.13 0.06 Allowed 'General case' 0 CA--C 1.531 0.228 0 O-C-N 124.39 1.056 . . . . 0.0 111.618 173.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 1.057 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . 63.5 mttm -126.68 80.76 1.96 Allowed 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.896 -0.503 . . . . 0.0 111.114 -176.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 74.49 22.38 77.44 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.6 -0.727 . . . . 0.0 113.763 172.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -95.08 132.28 40.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.109 0.455 . . . . 0.0 110.322 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -67.42 131.37 45.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.241 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.523 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 20.1 t -125.73 101.28 8.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.144 171.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 54.4 t -87.25 -49.28 14.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 173.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.72 -56.6 4.51 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.298 -0.864 . . . . 0.0 113.179 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.9 47.52 24.87 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -174.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -132.91 121.64 23.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.896 0.379 . . . . 0.0 111.22 -173.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--O 1.245 0.821 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 172.332 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.4 mtm . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -98.27 -22.45 16.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 173.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -107.37 147.99 29.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.167 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -82.35 -6.52 59.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.87 -173.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -124.21 154.23 40.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.891 0.377 . . . . 0.0 111.052 -176.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.9 mt -102.59 137.21 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.839 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.95 134.13 35.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.751 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.76 153.68 41.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.172 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -86.65 -1.15 57.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.0 0.428 . . . . 0.0 110.897 -178.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 42.2 mmtm -132.84 127.48 34.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.527 174.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -109.57 114.29 27.78 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.789 -174.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.5 mt -80.14 153.98 28.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.237 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -71.41 -24.28 62.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.932 0.396 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -101.96 124.63 47.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.01 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -88.12 174.29 8.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.26 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -74.52 92.83 2.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.062 0.458 . . . . 0.0 109.883 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -97.93 103.7 15.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.805 -174.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.508 ' HA ' ' HB2' ' A' ' 21' ' ' LEU . 35.7 t -80.94 -9.66 12.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.098 173.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -53.08 -43.71 66.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.466 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -87.07 -31.84 20.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.663 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.508 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 85.7 mt -58.08 -43.22 86.93 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.831 0.348 . . . . 0.0 111.002 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.98 -30.65 68.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.631 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.445 ' NH1' ' HZ ' ' A' ' 97' ' ' PHE . 63.8 mtt85 -73.95 -39.05 64.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.854 0.359 . . . . 0.0 110.296 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -67.52 -37.91 79.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.238 0.542 . . . . 0.0 109.601 174.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -57.37 -46.19 83.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.415 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -57.36 -40.8 78.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.731 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.543 ' O ' HG22 ' A' ' 31' ' ' VAL . 59.7 mtt -67.46 -43.64 80.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.129 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.8 tm0? -62.5 -43.23 99.32 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -60.33 -52.14 66.52 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.995 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.492 HG13 ' HA ' ' A' ' 27' ' ' MET . 10.5 p -64.14 -34.1 66.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -174.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 27' ' ' MET . 81.4 t -62.9 -37.94 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.465 0.65 . . . . 0.0 109.964 175.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -96.32 6.32 49.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.788 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.462 ' HB3' ' HA ' ' A' ' 30' ' ' VAL . 45.8 t -102.11 142.47 33.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.439 -178.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -61.46 -17.1 52.92 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.228 -176.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.0 m -59.66 -36.98 77.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.252 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -143.68 24.8 1.69 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.668 0.271 . . . . 0.0 111.364 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 33' ' ' SER . 61.6 tttm -64.86 -24.91 67.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.987 0.423 . . . . 0.0 110.721 -177.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.23 -17.56 72.27 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.745 178.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -110.4 107.81 58.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 110.425 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.0 -34.41 38.29 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.755 2.303 . . . . 0.0 112.262 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 37.3 mm -123.3 147.39 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.153 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -103.52 -165.32 1.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.722 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.409 ' H ' ' HB2' ' A' ' 46' ' ' HIS . 4.3 m-20 -132.17 169.47 16.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.085 -172.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.519 ' O ' ' HB ' ' A' ' 47' ' ' THR . 17.6 m-70 -70.93 -31.96 68.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.018 0.437 . . . . 0.0 110.024 177.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.15 -39.74 78.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.968 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.409 ' HB2' ' H ' ' A' ' 43' ' ' ASP . 4.7 m80 -65.75 -29.43 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.74 175.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.519 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 72.6 m -55.3 -58.39 7.93 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 170.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.524 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 22.8 ttt180 -52.54 -46.72 66.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.333 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.55 -51.56 68.07 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.574 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -69.21 -39.87 78.34 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.5 mm -62.67 -47.62 92.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.169 0.509 . . . . 0.0 109.759 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -66.08 -31.4 72.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.81 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 t -62.11 -39.94 94.2 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.262 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -69.62 -33.22 72.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.978 0.418 . . . . 0.0 110.007 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.403 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 67.6 mt -70.71 -34.92 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.175 0.512 . . . . 0.0 110.072 175.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -68.98 -21.86 64.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.573 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -55.43 -29.14 58.05 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.358 174.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.598 ' HB2' HH22 ' A' ' 85' ' ' ARG . 2.1 t70 -56.83 -36.56 70.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.273 177.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.471 ' HB2' HH12 ' A' ' 86' ' ' ARG . 19.8 t70 -68.5 -16.8 64.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.379 -176.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.8 m -76.31 -36.1 58.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.115 0.483 . . . . 0.0 109.96 175.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.04 -40.73 37.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.459 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.527 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 38.3 tp -65.21 -29.18 69.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.564 177.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -53.61 -41.52 66.73 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.142 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.628 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 11.0 mm-40 -56.12 -45.86 79.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.825 176.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.489 HD22 ' HD2' ' A' ' 78' ' ' ARG . 85.9 mt -71.61 -24.83 61.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.961 -177.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 92.3 mttt -68.38 -42.25 79.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.386 0.612 . . . . 0.0 109.784 174.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -71.32 -28.18 63.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.146 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.628 ' HG3' ' O ' ' A' ' 64' ' ' GLU . 48.8 mttm -86.7 10.82 14.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.391 -177.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.531 ' HA ' ' HG3' ' A' ' 74' ' ' PRO . 55.4 mtt180 -75.49 88.37 2.66 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 172.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -129.12 -172.68 2.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.54 -176.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.6 t -77.34 1.6 18.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.223 0.535 . . . . 0.0 110.056 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -84.94 3.92 36.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.372 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 70.79 104.69 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.307 0 O-C-N 123.992 0.808 . . . . 0.0 110.304 -177.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.531 ' HG3' ' HA ' ' A' ' 69' ' ' ARG . 36.1 Cg_exo -60.97 154.96 52.84 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.005 2.47 . . . . 0.0 112.57 -177.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.463 ' HB2' ' HB3' ' A' ' 78' ' ' ARG . 13.3 Cg_exo -70.0 84.88 0.67 Allowed 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.743 2.295 . . . . 0.0 112.235 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.1 p -59.15 -49.23 78.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.992 0.425 . . . . 0.0 110.258 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -56.23 -57.0 14.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.094 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.489 ' HD2' HD22 ' A' ' 65' ' ' LEU . 40.4 ttm-85 -61.28 -46.05 91.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.587 -176.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.486 ' HA ' HD11 ' A' ' 65' ' ' LEU . 34.0 tt0 -62.89 -48.12 80.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.041 -177.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.81 -39.32 84.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.355 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.7 tp -62.74 -45.47 92.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.927 0.394 . . . . 0.0 110.489 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.33 -49.86 75.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.776 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.09 -37.28 86.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.368 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -66.8 -27.47 67.6 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.446 0.165 . . . . 0.0 111.317 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.598 HH22 ' HB2' ' A' ' 58' ' ' ASP . 4.7 ttp-105 -63.01 -50.66 69.86 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 174.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.596 ' HD2' ' OD1' ' A' ' 58' ' ' ASP . 31.6 ttt180 -60.78 -42.08 96.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.414 177.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -57.35 -45.02 84.79 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.632 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -69.75 -38.77 76.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 85' ' ' ARG . 77.4 mt-10 -59.96 -39.58 86.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.934 0.397 . . . . 0.0 110.368 177.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.18 -37.24 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.703 177.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -73.65 -36.53 65.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.372 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.72 -37.63 88.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.505 0.669 . . . . 0.0 109.576 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 1.009 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 37.6 t80 -67.17 -40.35 86.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.47 177.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -66.11 -33.84 76.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.839 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.14 17.19 3.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.337 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.58 86.67 1.14 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.596 -0.812 . . . . 0.0 111.517 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 1.009 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 28.7 t80 -80.12 148.93 30.77 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -175.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.9 tp -72.34 94.89 1.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.951 0.405 . . . . 0.0 110.539 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.671 ' HB2' HD13 ' A' ' 129' ' ' ILE . 15.1 m -128.18 150.36 73.73 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.409 -178.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.503 ' HG2' ' SD ' ' A' ' 27' ' ' MET . 5.7 Cg_exo -75.25 153.1 40.39 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.356 2.037 . . . . 0.0 111.616 171.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -70.75 -27.5 63.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.73 ' HA ' ' SD ' ' A' ' 108' ' ' MET . 44.9 mt 62.44 14.7 7.15 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.645 177.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.9 m -110.88 -43.32 3.81 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.466 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.95 113.05 5.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.951 0.405 . . . . 0.0 109.957 176.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.06 -37.95 78.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.035 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -68.48 -35.48 77.59 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.483 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.614 ' ND2' ' HB2' ' A' ' 125' ' ' ARG . 45.8 t30 -64.81 -44.52 89.63 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.73 ' SD ' ' HA ' ' A' ' 102' ' ' LEU . 92.6 mmm -63.3 -37.18 86.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.973 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.07 -39.46 86.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.371 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -72.18 -30.38 64.92 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.5 tt -68.46 -35.79 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.405 172.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 112' ' ' ARG . 33.2 ttt180 -70.36 -23.62 62.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.287 177.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -86.86 2.01 50.51 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.295 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.457 ' CZ2' ' HA2' ' A' ' 116' ' ' GLY . 46.4 t90 -65.89 115.07 5.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.933 0.397 . . . . 0.0 110.816 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -104.71 21.18 17.34 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 110.729 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.457 ' HA2' ' CZ2' ' A' ' 114' ' ' TRP . . . 90.62 37.76 6.4 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -173.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.899 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 0.2 OUTLIER -94.14 124.25 38.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.266 -0.467 . . . . 0.0 110.597 -175.31 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -78.21 -40.67 36.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.965 0.412 . . . . 0.0 110.295 -178.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -68.51 -12.71 64.36 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.392 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.899 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 0.5 OUTLIER -72.72 -14.48 61.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.39 0.615 . . . . 0.0 109.883 179.112 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.401 HD13 ' CD2' ' A' ' 21' ' ' LEU . 69.0 mt -73.55 -19.03 61.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.159 0.504 . . . . 0.0 110.089 176.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -97.95 13.66 30.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.195 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 50.0 p -129.37 -34.1 1.86 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.172 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.74 152.34 35.98 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.317 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.614 ' HB2' ' ND2' ' A' ' 107' ' ' ASN . 38.0 mtp85 -77.1 72.24 3.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.27 0.557 . . . . 0.0 109.884 173.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.7 102.92 15.09 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.776 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.502 HD13 ' HG3' ' A' ' 135' ' ' GLN . 16.9 pt -106.67 176.16 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.259 -175.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -96.79 120.8 37.8 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 175.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.671 HD13 ' HB2' ' A' ' 99' ' ' CYS . 25.3 mt -118.52 132.24 68.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.292 -175.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -101.7 120.39 40.27 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.581 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.6 t70 56.76 -93.94 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 171.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.524 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 10.9 pttm -100.79 44.27 1.02 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -167.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.453 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 79.6 31.01 42.21 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.346 176.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -90.72 111.5 22.89 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.502 ' HG3' HD13 ' A' ' 127' ' ' ILE . 54.2 tt0 -70.54 119.0 14.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.171 0.51 . . . . 0.0 110.843 -177.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.9 t -84.84 97.35 5.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.605 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 18.7 m -91.04 131.87 37.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.359 -176.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 63.66 55.51 24.64 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.226 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -85.94 -77.82 1.2 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.82 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -166.73 -69.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.243 0.544 . . . . 0.0 109.732 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 C--O 1.25 1.091 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.206 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.5 mtm . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 121.0 0.429 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.526 ' HG2' ' H ' ' A' ' 4' ' ' ASP . 58.2 ttp180 -111.39 143.56 42.0 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.569 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.452 ' HB2' ' HE2' ' A' ' 91' ' ' LYS . 47.4 mt-10 -62.86 -36.86 84.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.533 0.683 . . . . 0.0 109.584 178.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.526 ' H ' ' HG2' ' A' ' 2' ' ' ARG . 3.9 m-20 -71.8 112.25 7.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.769 -177.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -82.92 -172.26 4.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.585 176.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.8 mt -73.22 -49.96 34.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.191 -176.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -122.54 118.13 27.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.74 -66.17 1.06 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.993 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HG2' ' OD2' ' A' ' 15' ' ' ASP . 66.1 mttm -76.75 -3.81 40.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.015 0.436 . . . . 0.0 111.39 -174.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -111.79 17.9 19.41 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.171 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -143.38 -40.0 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.565 -176.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.36 -176.8 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -128.45 -1.18 5.6 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -100.76 -7.49 23.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.121 0.486 . . . . 0.0 110.538 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.497 ' OD2' ' HG2' ' A' ' 9' ' ' LYS . 5.4 m-20 -85.5 89.99 7.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.218 178.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -114.79 178.09 4.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.32 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -87.19 -3.97 59.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.457 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.09 -44.33 81.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.188 176.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -67.12 -8.52 31.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.331 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.727 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 37.5 tp10 -102.19 -66.59 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.903 -178.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.5 mt -70.54 -31.93 69.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.282 -170.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 -32.48 72.24 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.727 ' NH1' ' HA ' ' A' ' 20' ' ' GLU . 15.6 mtm-85 -66.41 -43.67 85.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.174 0.511 . . . . 0.0 109.87 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.41 -45.1 94.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.713 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -68.16 -30.93 70.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.792 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.541 ' O ' HG22 ' A' ' 30' ' ' VAL . 63.1 t80 -60.49 -54.92 39.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 173.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.574 ' O ' HG21 ' A' ' 31' ' ' VAL . 63.0 mtt -55.77 -45.19 78.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.201 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -50.24 -57.35 8.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.049 176.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.547 ' HA ' ' HB2' ' A' ' 32' ' ' ASN . 81.0 m-20 -73.72 -16.09 61.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.058 -173.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 26' ' ' PHE . 53.6 t -72.73 -37.66 56.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 172.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.574 HG21 ' O ' ' A' ' 27' ' ' MET . 20.6 t -75.82 -26.84 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.84 176.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.547 ' HB2' ' HA ' ' A' ' 29' ' ' ASP . 86.0 m-20 -77.73 -38.67 46.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.155 177.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 35.6 t -78.07 159.8 28.48 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.803 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.09 1.1 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.126 0.489 . . . . 0.0 110.451 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 m -56.94 -55.24 37.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.491 174.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -137.57 22.53 2.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.334 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 33' ' ' SER . 35.2 ttpt -57.76 -31.38 66.44 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.025 0.441 . . . . 0.0 111.352 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.1 -4.9 89.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.516 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 83.6 mm-40 -107.03 121.0 46.17 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 39' ' ' GLN . 23.2 Cg_exo -65.78 -61.47 0.09 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.641 2.227 . . . . 0.0 112.601 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 105' ' ' ALA . 7.5 mm -125.76 163.69 26.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -176.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.867 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 92.2 m-85 -110.22 -160.38 0.71 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.993 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.582 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 1.9 p30 -142.29 -177.68 5.37 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.257 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.529 ' O ' ' HB ' ' A' ' 47' ' ' THR . 4.3 m-70 -81.11 -21.71 39.67 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.601 0.239 . . . . 0.0 111.448 -177.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.01 -37.96 72.65 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 175.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -67.24 -26.09 66.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.679 173.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.529 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 93.9 m -57.88 -63.56 1.21 Allowed 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 172.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.578 ' HD3' ' HB3' ' A' ' 132' ' ' LYS . 12.8 ptt180 -61.21 -32.25 72.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.122 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.22 -50.15 72.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.686 0.279 . . . . 0.0 110.744 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -73.54 -40.37 64.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.546 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 47' ' ' THR . 46.4 mm -65.69 -43.59 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.785 0.326 . . . . 0.0 110.997 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -62.96 -47.64 82.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.7 p -67.75 -32.85 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.178 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -61.86 -39.82 93.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.806 0.336 . . . . 0.0 110.804 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.2 mt -81.32 -39.22 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.805 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -67.43 -18.25 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.244 0.545 . . . . 0.0 110.211 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.559 HH11 ' HB3' ' A' ' 57' ' ' ARG . 2.6 ttp-105 -54.42 -36.21 63.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.092 176.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -64.7 -22.2 66.92 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.674 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.28 -21.35 63.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.989 0.423 . . . . 0.0 110.184 177.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.9 m -78.27 -28.13 47.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.226 178.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -84.8 -34.02 22.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.26 0.552 . . . . 0.0 109.683 174.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.547 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 64.9 tp -64.36 -27.26 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.476 171.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.777 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 32.6 t70 -62.71 -32.41 73.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.376 178.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.878 ' HB3' ' HE2' ' A' ' 68' ' ' LYS . 43.6 mt-10 -61.83 -48.61 79.81 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 174.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.92 -22.71 66.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.009 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.777 ' HD2' ' HA ' ' A' ' 63' ' ' ASP . 85.6 mttt -74.7 -48.63 24.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.684 177.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -91.39 -14.35 30.79 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -170.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.878 ' HE2' ' HB3' ' A' ' 64' ' ' GLU . 66.9 mttm -82.28 9.31 9.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.917 0.389 . . . . 0.0 110.907 177.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -77.0 11.36 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.652 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -69.05 -19.73 64.1 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 173.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 m -73.7 149.26 42.01 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 170.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -88.8 18.69 4.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.431 0.634 . . . . 0.0 110.079 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.6 mtt-85 -135.04 80.33 48.34 Favored Pre-proline 0 N--CA 1.449 -0.481 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.417 176.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 42.8 Cg_exo -57.53 136.45 75.93 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.868 2.379 . . . . 0.0 112.83 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 74' ' ' PRO . 4.6 Cg_exo -74.37 84.8 1.5 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.87 2.38 . . . . 0.0 112.409 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.451 ' O ' HG21 ' A' ' 80' ' ' VAL . 8.0 p -60.76 -57.8 11.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.565 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -63.48 -43.76 96.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.775 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.7 mtt-85 -64.17 -41.22 97.22 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -176.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -67.0 -39.91 87.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.983 0.421 . . . . 0.0 110.465 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.482 ' O ' ' HG2' ' A' ' 84' ' ' GLN . 69.4 t -64.58 -40.35 88.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.505 177.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.3 tp -59.78 -41.63 91.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.775 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.97 -47.39 86.66 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -57.36 -49.82 74.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.361 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 80' ' ' VAL . 86.5 mm-40 -55.03 -46.2 75.27 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.867 -176.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -67.17 -42.7 83.84 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.238 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.467 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 52.5 ttp180 -63.11 -46.81 85.57 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -178.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.57 -36.3 80.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.571 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.03 -44.23 93.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.086 0.469 . . . . 0.0 110.437 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -74.27 -25.93 59.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.1 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 92.4 mt -66.15 -31.34 72.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.337 0.589 . . . . 0.0 109.735 172.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.509 ' C ' ' HD3' ' A' ' 91' ' ' LYS . 5.1 tmtm? -71.12 -40.78 71.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.772 175.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -61.0 -35.63 77.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.421 0.629 . . . . 0.0 109.607 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -60.42 -39.52 87.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.549 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 90' ' ' LEU . 84.0 mttt -71.43 -30.66 66.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.506 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.1 12.13 5.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.814 -172.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.95 81.25 1.02 Allowed Glycine 0 N--CA 1.442 -0.958 0 C-N-CA 120.34 -0.933 . . . . 0.0 110.784 -174.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.56 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 28.5 t80 -55.51 129.46 38.95 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 122.753 0.421 . . . . 0.0 110.408 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.8 tp -67.1 103.31 1.16 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.161 0.505 . . . . 0.0 110.481 -176.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.664 ' HB2' HD11 ' A' ' 129' ' ' ILE . 33.9 m -128.51 154.28 79.41 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.794 -179.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.56 149.15 55.07 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.096 1.864 . . . . 0.0 109.622 166.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -55.95 -36.59 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.004 0.431 . . . . 0.0 110.298 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.867 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 15.4 tp 75.7 -32.4 0.21 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.318 171.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.582 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 5.7 p -87.48 -18.17 30.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.928 0.394 . . . . 0.0 110.495 175.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.91 122.62 24.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.388 174.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -64.87 -36.8 85.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.335 -175.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.501 ' HB3' ' NH2' ' A' ' 125' ' ' ARG . 51.1 tptt -65.19 -40.35 94.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.916 0.388 . . . . 0.0 110.288 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.568 HD22 ' HB2' ' A' ' 125' ' ' ARG . 18.5 m-80 -58.45 -46.06 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.496 173.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.434 ' SD ' HD22 ' A' ' 111' ' ' LEU . 36.4 tpp -66.1 -28.27 68.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.091 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -62.88 -52.93 61.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.705 0.288 . . . . 0.0 110.314 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.44 ' CZ ' ' HE3' ' A' ' 106' ' ' LYS . 48.2 m-85 -68.01 -34.18 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.542 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.434 HD22 ' SD ' ' A' ' 108' ' ' MET . 7.7 tt -64.3 -37.33 87.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.06 -178.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 112' ' ' ARG . 26.6 ttt180 -80.77 -25.22 38.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.134 0.492 . . . . 0.0 110.757 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -95.53 18.94 11.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.307 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.555 ' HA ' HD12 ' A' ' 120' ' ' LEU . 25.9 t90 -78.36 137.29 37.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.768 -175.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -145.0 -157.12 0.76 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.16 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -73.28 62.07 1.81 Allowed Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 172.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.7 m -132.46 103.94 6.44 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -73.81 -19.92 60.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.922 0.391 . . . . 0.0 110.839 -176.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.66 -17.33 68.91 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.971 176.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 114' ' ' TRP . 47.1 mt -73.83 -13.39 60.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 0.0 111.3 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.81 -13.61 59.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.376 0.608 . . . . 0.0 109.473 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -91.66 -29.47 16.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.8 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 49.6 p -81.07 -37.82 28.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.988 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.94 135.79 55.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.047 176.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.568 ' HB2' HD22 ' A' ' 107' ' ' ASN . 1.0 OUTLIER -92.25 77.24 5.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.623 0.725 . . . . 0.0 109.603 178.042 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 14.3 mt -82.22 123.57 29.14 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.834 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.502 HD11 ' HG3' ' A' ' 135' ' ' GLN . 16.6 pt -123.42 -175.55 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.599 -175.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.569 ' HD2' ' HA2' ' A' ' 138' ' ' GLY . 98.0 mtt180 -96.44 123.87 40.24 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.664 HD11 ' HB2' ' A' ' 99' ' ' CYS . 21.9 mt -120.77 113.85 41.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 121.444 0.64 . . . . 0.0 110.006 176.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -99.35 145.96 26.79 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.39 -171.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.6 t70 58.31 -87.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.4 -1.273 . . . . 0.0 112.203 174.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.578 ' HB3' ' HD3' ' A' ' 48' ' ' ARG . 90.5 mttt -138.73 79.87 1.76 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.196 0.522 . . . . 0.0 111.714 -176.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 74.9 13.9 82.09 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.549 -0.75 . . . . 0.0 113.294 173.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 129' ' ' ILE . 38.5 mt-10 -90.26 134.87 34.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -177.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.502 ' HG3' HD11 ' A' ' 127' ' ' ILE . 49.8 tt0 -87.37 129.44 35.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.351 0.595 . . . . 0.0 110.939 -174.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 11.0 t -103.72 135.99 38.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.399 177.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 53.1 t -56.09 -39.34 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.306 0.575 . . . . 0.0 110.779 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.569 ' HA2' ' HD2' ' A' ' 128' ' ' ARG . . . 130.04 -135.08 8.15 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.97 177.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -159.03 35.08 0.49 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.049 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . 0.426 ' C ' HD21 ' A' ' 140' ' ' ASN . 0.4 OUTLIER -106.92 3.33 26.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 179.616 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.989 179.512 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.647 0.26 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -99.53 134.53 42.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.0 0.428 . . . . 0.0 111.589 -174.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -83.11 -30.5 27.88 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 174.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.95 110.17 21.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.948 -1.023 . . . . 0.0 108.505 170.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -68.65 -24.32 64.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.801 -172.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.456 HG23 ' H ' ' A' ' 8' ' ' ALA . 40.9 mm -80.69 148.88 5.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.85 -41.97 78.87 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.27 0.557 . . . . 0.0 110.1 176.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.456 ' H ' HG23 ' A' ' 6' ' ' ILE . . . -101.37 -167.02 1.36 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.077 171.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -119.48 167.28 12.11 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.03 -16.87 48.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.895 0.378 . . . . 0.0 111.789 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -80.33 -10.17 59.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.629 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.9 mt -120.17 141.59 49.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.525 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -133.84 140.65 47.01 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.934 -177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 65.7 95.6 0.06 Allowed 'General case' 0 N--CA 1.464 0.254 0 O-C-N 124.086 0.866 . . . . 0.0 111.83 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -63.11 127.1 29.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.985 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.514 ' HE2' HD22 ' A' ' 98' ' ' LEU . 29.0 mtpp -89.07 170.3 10.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.579 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.7 mtt-85 -76.99 147.08 37.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.968 0.413 . . . . 0.0 111.212 -174.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.0 t -63.49 -27.65 43.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.266 172.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.498 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 42.2 m80 -66.0 -11.79 50.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.438 177.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.01 -47.96 40.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.412 HD21 HD13 ' A' ' 121' ' ' LEU . 7.5 mp -72.3 -36.97 69.08 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.464 177.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.498 ' HB2' ' HA ' ' A' ' 19' ' ' HIS . . . -56.77 -29.67 62.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.403 174.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.472 ' HD3' ' CD1' ' A' ' 51' ' ' ILE . 33.7 ttm180 -70.8 -40.27 72.64 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.4 t -60.43 -43.19 93.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.701 174.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 55.0 tttm -57.9 -47.34 83.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.526 175.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.423 ' O ' HG21 ' A' ' 30' ' ' VAL . 77.8 t80 -57.56 -49.06 77.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.506 ' O ' HG22 ' A' ' 31' ' ' VAL . 53.7 mtt -57.89 -42.54 84.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.553 177.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -59.66 -52.62 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.328 176.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -57.66 -46.95 83.57 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.895 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.473 HG13 ' HB2' ' A' ' 36' ' ' PHE . 73.0 t -59.17 -46.24 92.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 27' ' ' MET . 50.2 t -69.42 -32.23 52.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.056 0.455 . . . . 0.0 110.947 -177.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -88.09 -7.99 56.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.121 0.486 . . . . 0.0 110.912 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 18.7 t -97.47 153.11 18.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.377 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.77 -10.09 11.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.422 HG21 ' CD2' ' A' ' 36' ' ' PHE . 28.0 m -53.26 -46.02 69.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.644 175.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.473 ' HB2' HG13 ' A' ' 30' ' ' VAL . 19.2 m-85 -143.05 14.4 1.88 Allowed 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 33' ' ' SER . 37.8 ttpt -68.03 -13.29 62.07 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.155 0.502 . . . . 0.0 110.664 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.91 -18.33 72.44 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.764 -0.731 . . . . 0.0 111.887 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -100.18 136.0 20.19 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.91 -67.95 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.595 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 105' ' ' ALA . 40.3 mm -136.41 152.73 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.65 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 24.2 m-85 -89.68 -167.14 1.77 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.678 0.275 . . . . 0.0 110.799 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.844 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 6.4 m-20 -143.17 -178.23 5.74 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -177.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.401 ' O ' ' HB ' ' A' ' 47' ' ' THR . 17.1 m170 -69.24 -23.27 63.84 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.02 75.39 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.346 172.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.508 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 54.7 m-70 -69.43 -23.46 63.69 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.154 175.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 90.7 m -65.68 -53.34 42.38 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 169.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 1.046 ' HG3' ' HB3' ' A' ' 132' ' ' LYS . 59.0 ttt180 -50.41 -47.87 56.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.464 174.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.508 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 32.2 mt-10 -57.46 -58.5 8.0 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.992 177.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -67.5 -41.03 85.13 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -174.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.472 ' CD1' ' HD3' ' A' ' 23' ' ' ARG . 41.5 mm -64.46 -36.06 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.804 0.335 . . . . 0.0 110.453 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -61.96 -46.39 89.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.159 174.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.2 m -64.9 -29.6 70.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.021 0.439 . . . . 0.0 111.017 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -66.78 -42.89 85.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.96 0.41 . . . . 0.0 110.27 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.5 mt -74.6 -32.91 30.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.308 0.575 . . . . 0.0 110.223 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.75 -31.27 71.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.366 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -59.17 -38.38 79.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.48 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -77.52 -33.99 54.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.954 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.6 -34.11 72.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.023 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 90.8 m -63.93 -38.58 91.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.071 176.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -69.68 -40.0 76.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.539 0.685 . . . . 0.0 109.22 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.512 ' HA ' HD22 ' A' ' 82' ' ' LEU . 58.9 tp -61.85 -42.05 98.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.688 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -67.39 -31.82 72.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.928 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -67.54 -44.49 78.18 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.419 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.2 mt -65.3 -40.13 93.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.218 0.532 . . . . 0.0 109.565 175.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -56.02 -44.54 78.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.423 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -70.76 -43.11 69.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.033 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.442 ' HG2' ' HD2' ' A' ' 74' ' ' PRO . 3.2 ttmp? -64.66 -29.94 70.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.792 -177.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -57.86 -35.65 71.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.852 177.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -71.56 -15.39 62.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.38 -176.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.6 t -86.11 -68.25 0.75 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.101 -177.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -136.06 10.72 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.528 -176.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.623 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 80.9 mtm180 51.83 45.32 2.63 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -174.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.623 ' HD3' ' N ' ' A' ' 73' ' ' ARG . 24.6 Cg_exo -63.58 -55.27 0.73 Allowed 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 121.922 1.748 . . . . 0.0 113.83 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.515 ' HD3' ' HB2' ' A' ' 74' ' ' PRO . 9.5 Cg_exo -71.89 -52.93 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 121.695 1.597 . . . . 0.0 112.122 -178.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.1 m 55.34 -87.88 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.793 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -69.27 -29.24 67.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.262 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.95 -31.49 72.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.193 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -66.39 -47.68 72.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.314 0.578 . . . . 0.0 109.743 177.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.1 t -67.21 -35.76 74.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.287 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.44 -41.61 84.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.362 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.512 HD22 ' HA ' ' A' ' 62' ' ' LEU . 36.3 tp -66.8 -36.55 82.64 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 175.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -60.78 -43.58 97.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.162 174.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -65.59 -33.77 76.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -40.82 75.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.335 0.588 . . . . 0.0 109.433 177.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.453 ' HD2' HD21 ' A' ' 62' ' ' LEU . 27.8 ttt-85 -57.26 -53.99 51.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.702 173.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.487 ' HA ' HD12 ' A' ' 90' ' ' LEU . 1.3 m-20 -63.71 -33.01 74.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.314 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.07 -49.41 76.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.719 0.295 . . . . 0.0 110.651 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -67.02 -30.11 70.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.233 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 87' ' ' ASP . 95.5 mt -65.5 -39.32 91.73 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.499 175.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -67.92 -38.35 82.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.308 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -69.48 -33.52 73.0 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.57 ' HD1' ' HB2' ' A' ' 97' ' ' PHE . 1.6 t80 -66.11 -36.37 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.734 175.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -75.65 -13.18 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.948 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.25 -16.37 16.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.591 177.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.03 90.41 0.9 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.988 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.57 ' HB2' ' HD1' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -76.47 138.75 40.49 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -179.436 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.514 HD22 ' HE2' ' A' ' 16' ' ' LYS . 32.4 tp -80.21 97.11 6.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.125 0.488 . . . . 0.0 110.742 -177.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.704 ' HB2' HD12 ' A' ' 129' ' ' ILE . 73.4 m -128.06 152.38 77.47 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.926 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -80.17 151.27 20.65 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 121.877 1.718 . . . . 0.0 111.729 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.17 102.1 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 174.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.65 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 13.8 tp -79.23 5.87 11.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.182 -172.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.844 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 7.3 p -113.27 6.04 17.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.494 -177.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -95.55 124.43 39.57 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.095 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.434 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -67.17 -45.69 76.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.776 -175.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -69.0 -43.13 75.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.788 0.328 . . . . 0.0 110.672 -176.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.492 HD21 ' HA ' ' A' ' 124' ' ' LEU . 10.8 m120 -73.36 -23.15 60.17 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.725 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.533 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 29.2 ttm -75.85 -27.07 57.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 171.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -70.03 -42.55 72.79 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 173.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -60.76 -39.14 87.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.912 171.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.432 HD23 ' CB ' ' A' ' 27' ' ' MET . 4.0 tp -60.0 -45.8 91.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.049 176.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 108' ' ' MET . 74.5 mtt180 -60.27 -33.6 72.54 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.304 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.527 ' N ' HD21 ' A' ' 113' ' ' ASN . 0.8 OUTLIER -99.66 18.31 18.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.938 -175.298 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.674 ' HA ' HD11 ' A' ' 120' ' ' LEU . 24.1 t90 -68.93 108.8 3.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.356 0.598 . . . . 0.0 110.09 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -86.12 18.06 3.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.341 -174.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.23 47.19 24.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.449 -0.881 . . . . 0.0 111.09 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.574 HG21 ' HB2' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -120.65 142.84 49.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.923 0.392 . . . . 0.0 110.959 -175.35 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -80.64 -23.49 39.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.963 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -72.89 -26.92 69.96 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.149 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.674 HD11 ' HA ' ' A' ' 114' ' ' TRP . 2.9 tt -73.94 -20.16 60.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.232 0.539 . . . . 0.0 109.777 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.412 HD13 HD21 ' A' ' 21' ' ' LEU . 97.4 mt -63.95 -29.98 71.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.051 0.453 . . . . 0.0 110.328 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -73.75 -21.78 60.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 70.0 p -94.98 2.47 55.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.128 0.49 . . . . 0.0 110.511 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.492 ' HA ' HD21 ' A' ' 107' ' ' ASN . 81.6 mt -103.61 143.17 33.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.359 177.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -80.48 73.15 7.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.19 0.519 . . . . 0.0 109.753 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.3 mt -83.89 105.15 14.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.358 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.519 HD12 ' HG3' ' A' ' 135' ' ' GLN . 11.1 pt -109.04 175.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.819 -173.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.442 ' NH1' ' HB3' ' A' ' 140' ' ' ASN . 33.4 mtp180 -96.85 117.54 31.32 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.704 HD12 ' HB2' ' A' ' 99' ' ' CYS . 55.9 mt -115.49 126.64 73.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.226 0.536 . . . . 0.0 110.807 -177.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 93' ' ' PHE . 40.8 t30 -108.74 166.32 10.89 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.212 -176.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' A' ' 132' ' ' LYS . 19.1 t70 60.32 -95.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.897 0.748 . . . . 0.0 111.025 173.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 1.046 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . 95.1 mttt -156.36 86.47 1.01 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.75 21.01 54.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.631 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -100.56 106.42 17.94 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.197 -0.298 . . . . 0.0 110.197 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.519 ' HG3' HD12 ' A' ' 127' ' ' ILE . 53.9 tt0 -68.67 124.15 22.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.013 0.435 . . . . 0.0 110.929 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.0 t -92.51 93.66 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.87 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.4 m -80.88 142.27 14.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.229 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 111.54 -29.72 8.41 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.097 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 112.26 -38.14 3.37 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.636 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . 0.442 ' HB3' ' NH1' ' A' ' 128' ' ' ARG . 3.1 t-20 68.76 78.02 0.22 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.185 0.594 . . . . 0.0 111.397 177.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 C--O 1.248 0.991 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.776 176.431 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mmm . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -111.66 -167.57 1.2 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -68.09 -53.31 26.41 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 172.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 51.13 53.22 13.37 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.067 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -85.11 99.35 11.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.475 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.3 pt -71.21 170.2 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.938 -173.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.88 152.29 28.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.904 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.92 137.92 57.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.425 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -89.01 145.11 25.69 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.181 -176.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -63.81 -38.69 92.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 0.0 111.098 177.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -74.75 113.98 12.66 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.01 150.72 47.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.905 -176.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -78.54 83.88 4.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.084 -176.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -85.17 100.11 11.52 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 167.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -55.74 142.78 33.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.162 -167.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -53.7 -34.61 59.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.351 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 66.9 ttt180 -79.04 2.57 20.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.609 -174.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.8 p -63.44 -21.84 29.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 172.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.452 ' HE2' ' CD ' ' A' ' 89' ' ' GLU . 47.5 t-80 -58.85 -30.29 67.6 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.187 176.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HB3' HD11 ' A' ' 21' ' ' LEU . 29.8 tt0 -71.09 -49.7 41.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.414 -177.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.464 HD11 ' N ' ' A' ' 21' ' ' LEU . 4.4 mp -81.01 -11.33 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.532 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.25 -38.57 77.14 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.516 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -60.85 -44.98 96.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 110.239 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.9 t -68.72 -42.64 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.015 -178.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.6 -38.26 90.41 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.88 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -56.51 -48.41 77.26 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 175.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.433 ' O ' HG22 ' A' ' 31' ' ' VAL . 64.9 mtt -59.62 -43.74 93.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.593 177.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -59.03 -54.11 50.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.026 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.75 -39.71 89.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.486 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.459 HG11 ' HB2' ' A' ' 36' ' ' PHE . 53.8 t -68.53 -42.54 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 27' ' ' MET . 34.4 m -77.24 -21.19 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -89.9 -21.46 22.49 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.256 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.527 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 71.7 p -95.66 168.48 10.65 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.11 1.4 11.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.168 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.4 m -60.41 -47.51 85.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.832 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.459 ' HB2' HG11 ' A' ' 30' ' ' VAL . 30.0 m-85 -142.12 22.64 2.06 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.171 -0.211 . . . . 0.0 111.519 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 33' ' ' SER . 37.7 ttpt -61.27 -22.78 65.16 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.059 0.457 . . . . 0.0 110.765 177.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.83 -35.93 77.42 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.016 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -116.59 93.93 41.93 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -68.36 -21.25 41.31 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.799 2.332 . . . . 0.0 112.132 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.461 HD11 ' HA ' ' A' ' 105' ' ' ALA . 20.3 mm -119.17 153.59 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.536 ' HB3' ' HB2' ' A' ' 46' ' ' HIS . 76.1 m-85 -130.2 -165.51 1.55 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.884 0.374 . . . . 0.0 110.943 -178.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -129.39 168.48 16.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -60.29 -26.09 66.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.687 0.28 . . . . 0.0 110.999 176.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.16 73.35 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.617 0.246 . . . . 0.0 110.647 173.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.588 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 78.5 m-70 -76.23 -19.36 58.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.991 178.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.2 m -66.86 -55.0 16.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 169.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -48.94 -52.61 23.72 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.162 172.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.588 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 28.3 mt-10 -50.6 -61.51 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.213 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -72.95 -41.54 64.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 -173.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.76 -47.67 85.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.773 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -65.74 -35.52 80.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.646 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.2 p -73.06 -33.7 65.82 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.857 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -66.11 -34.59 78.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.032 0.444 . . . . 0.0 109.814 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 78.0 mt -72.9 -48.68 43.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.771 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -64.97 -17.44 64.4 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.188 -176.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.3 ttt-85 -56.24 -30.89 62.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.292 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -63.54 -27.91 69.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.552 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.7 -21.46 64.5 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.279 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.4 m -67.94 -34.42 76.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.133 0.492 . . . . 0.0 110.588 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -87.52 -18.34 30.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.285 0.564 . . . . 0.0 109.797 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.412 ' HB2' HD12 ' A' ' 82' ' ' LEU . 56.6 tp -74.79 -31.51 61.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.916 173.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.66 -31.33 72.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.694 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -59.39 -40.02 85.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.149 0.5 . . . . 0.0 110.005 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.5 mt -70.31 -32.14 69.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.399 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -68.54 -43.22 77.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.302 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -60.45 -39.28 86.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.365 174.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -63.05 -43.82 97.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.456 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.3 ttt85 -66.07 -29.16 69.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.824 177.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -70.22 -32.65 70.62 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.3 m -77.83 6.71 7.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.022 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.2 t30 77.35 21.64 1.03 Allowed 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.689 0.795 . . . . 0.0 110.321 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -115.83 87.69 18.98 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.736 174.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 15.1 Cg_exo -69.14 120.07 6.99 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.89 2.393 . . . . 0.0 111.804 176.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 74' ' ' PRO . 3.0 Cg_endo -86.48 121.86 1.97 Allowed 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.219 2.612 . . . . 0.0 111.908 177.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.432 ' O ' HG21 ' A' ' 80' ' ' VAL . 23.8 p -87.63 -75.48 0.41 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.766 0.317 . . . . 0.0 110.733 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -66.85 -32.98 74.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.335 -175.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.6 mmm-85 -65.16 -38.25 89.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.072 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -79.02 -39.86 32.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.725 -176.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.483 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 95.8 t -64.41 -51.13 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.541 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.21 -36.98 78.91 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.412 HD12 ' HB2' ' A' ' 62' ' ' LEU . 1.2 tm? -57.52 -57.27 13.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.519 176.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -60.2 -35.86 76.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.411 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 99.1 mt-30 -61.85 -51.02 69.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.692 -178.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 3.5 ttp180 -70.27 -36.33 74.36 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -177.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 86' ' ' ARG . 37.3 ttt-85 -56.89 -50.61 71.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.457 0.646 . . . . 0.0 109.965 175.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.503 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 25.1 t0 -63.59 -32.77 74.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.513 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -65.46 -39.97 92.63 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.821 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 69.9 mm-40 -55.47 -47.4 76.17 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.138 0.494 . . . . 0.0 110.001 177.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' A' ' 90' ' ' LEU . 4.0 mm? -61.45 -45.86 92.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.364 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 60.0 mttm -60.76 -40.66 93.32 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.784 -179.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.472 ' HG2' ' HB2' ' A' ' 97' ' ' PHE . 42.2 tt0 -60.33 -49.28 78.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.146 -177.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -83.5 -5.15 59.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.062 0.458 . . . . 0.0 110.619 -177.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -86.85 -36.53 18.42 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.29 -31.39 54.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.538 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.2 88.53 1.08 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.834 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.472 ' HB2' ' HG2' ' A' ' 92' ' ' GLU . 53.2 t80 -80.34 151.82 29.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.83 0.347 . . . . 0.0 110.641 -177.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.541 ' HG ' ' HB3' ' A' ' 126' ' ' LEU . 13.4 tp -70.54 100.67 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.16 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.526 ' HB2' HD12 ' A' ' 129' ' ' ILE . 36.7 m -126.55 148.11 63.13 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.186 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.421 ' HB3' HD23 ' A' ' 126' ' ' LEU . 73.2 Cg_endo -77.75 154.42 30.44 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.326 2.017 . . . . 0.0 112.217 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -80.28 125.72 30.23 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 41.5 mt -89.68 0.55 56.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -172.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 64.3 p -102.57 -2.89 27.6 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.834 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -94.57 109.06 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.461 ' HA ' HD11 ' A' ' 41' ' ' ILE . . . -66.68 -23.78 66.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.116 -174.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -67.4 -51.39 52.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.294 0.569 . . . . 0.0 109.628 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.573 ' HA ' ' HD2' ' A' ' 110' ' ' PHE . 27.2 m-80 -68.59 -34.23 75.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.25 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 92.3 mmm -64.28 -29.76 70.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.854 0.359 . . . . 0.0 110.302 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -71.06 -43.95 66.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.981 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.573 ' HD2' ' HA ' ' A' ' 107' ' ' ASN . 40.6 m-85 -60.82 -38.91 87.03 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.058 0.456 . . . . 0.0 109.986 175.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -39.52 94.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.001 177.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.2 mtp85 -65.78 -37.84 87.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.036 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -94.73 18.88 10.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.043 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.469 ' HA ' HD11 ' A' ' 120' ' ' LEU . 25.7 t90 -73.8 114.95 12.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.864 0.364 . . . . 0.0 110.463 -177.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -104.09 29.35 6.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.359 0.599 . . . . 0.0 110.474 -176.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 76.2 15.88 81.11 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.121 -175.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.532 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 2.6 m -73.29 122.32 21.79 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.919 -0.641 . . . . 0.0 110.949 -176.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -69.42 -36.55 76.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.882 0.372 . . . . 0.0 110.029 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.73 -29.98 71.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.855 175.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.532 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 10.9 mt -67.4 -21.29 65.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.762 0.315 . . . . 0.0 111.245 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.442 HD11 ' HG ' ' A' ' 21' ' ' LEU . 88.0 mt -75.22 -20.37 59.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.294 0.569 . . . . 0.0 110.025 177.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -91.75 -21.62 20.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.235 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.418 ' OG1' ' HA ' ' A' ' 120' ' ' LEU . 43.4 p -83.12 -23.35 33.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.081 0.467 . . . . 0.0 110.278 175.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 52.2 mt -78.91 136.11 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.849 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -74.78 68.77 1.75 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.451 0.643 . . . . 0.0 109.693 173.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.541 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . 49.1 mt -80.93 111.76 17.7 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.392 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 98' ' ' LEU . 31.3 pt -107.03 -178.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.685 -176.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.596 ' CB ' ' HB ' ' A' ' 136' ' ' VAL . 51.8 mtt180 -96.9 119.82 36.08 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.187 174.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.526 HD12 ' HB2' ' A' ' 99' ' ' CYS . 66.3 mt -119.91 134.24 64.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.13 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -126.24 152.6 45.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.871 0.367 . . . . 0.0 111.643 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.3 t70 66.16 -71.18 0.09 Allowed 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.844 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -122.93 -80.97 0.63 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.2 0.524 . . . . 0.0 109.728 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.13 38.76 1.23 Allowed Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.495 ' O ' ' HA ' ' A' ' 129' ' ' ILE . 5.2 mm-40 -85.27 151.57 23.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.7 -170.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -91.45 112.33 24.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 -175.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.596 ' HB ' ' CB ' ' A' ' 128' ' ' ARG . 21.7 t -91.78 121.72 42.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 171.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.5 m -106.21 177.28 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.452 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -76.01 50.17 2.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.207 -0.52 . . . . 0.0 112.495 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -155.48 20.24 0.53 Allowed Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 121.273 -0.489 . . . . 0.0 111.928 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -113.03 -56.62 2.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.983 0.42 . . . . 0.0 109.904 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.557 175.359 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.2 mtp . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -138.33 174.35 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.076 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -85.51 -30.57 23.32 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 175.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -69.76 159.58 33.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.203 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -100.54 -23.05 14.79 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.43 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.6 tt -166.57 116.95 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 121.244 0.545 . . . . 0.0 111.418 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.26 130.18 35.03 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 174.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.51 77.19 9.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -173.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -100.59 -33.01 10.48 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 165.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -94.75 -167.17 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.691 171.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -135.28 170.2 16.3 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.49 -21.3 64.61 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.163 0.506 . . . . 0.0 110.605 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -101.52 121.71 42.48 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 170.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -59.96 -38.33 82.17 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.587 0.554 . . . . 0.0 111.425 -172.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -94.61 146.05 24.4 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -84.99 -171.99 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -168.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -63.01 -10.84 15.43 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.083 -173.393 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.54 -30.39 49.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.983 0.42 . . . . 0.0 110.802 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.07 -16.15 63.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.885 0.374 . . . . 0.0 110.374 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 16.5 mt-10 -108.63 -66.51 1.04 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.696 -175.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.93 -21.89 65.96 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -172.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.15 -17.69 64.88 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 13.1 mmt180 -63.37 -46.49 86.26 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.7 t -70.15 -35.66 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.174 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 76.9 tttt -61.74 -41.5 97.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.693 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.461 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 86.3 t80 -60.39 -48.15 83.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.915 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.501 ' O ' HG23 ' A' ' 31' ' ' VAL . 63.7 mtt -54.49 -48.71 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.487 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -60.67 -52.96 62.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.272 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -63.22 -42.58 99.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.478 -174.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.5 -39.29 85.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.887 HG22 ' HG3' ' A' ' 112' ' ' ARG . 27.3 m -87.4 -9.83 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 111.304 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -92.94 -34.04 13.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.048 0.451 . . . . 0.0 110.293 177.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.9 p -85.01 166.5 16.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.75 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.53 1.58 3.91 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -178.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 m -52.86 -51.94 59.18 Favored 'General case' 0 N--CA 1.452 -0.375 0 O-C-N 123.571 0.544 . . . . 0.0 109.733 172.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -141.22 22.87 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.558 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -76.4 66.78 2.51 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 122.254 1.026 . . . . 0.0 109.047 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.02 -33.91 0.02 OUTLIER Glycine 0 C--N 1.311 -0.827 0 CA-C-N 113.347 -1.751 . . . . 0.0 109.779 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 14.9 mm100 -83.48 122.81 77.08 Favored Pre-proline 0 N--CA 1.452 -0.366 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 39' ' ' GLN . 26.8 Cg_exo -61.57 -71.94 0.03 OUTLIER 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.669 2.246 . . . . 0.0 112.936 -175.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.544 ' CD1' ' HA ' ' A' ' 105' ' ' ALA . 45.7 mm -127.76 157.32 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -176.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -110.03 -171.97 1.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.281 0.563 . . . . 0.0 111.816 -176.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.435 ' CG ' ' HD1' ' A' ' 46' ' ' HIS . 1.6 p30 -132.7 -167.77 1.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.777 -174.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.574 ' O ' ' HB ' ' A' ' 47' ' ' THR . 10.6 m170 -86.85 -24.12 25.05 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.446 -175.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 48' ' ' ARG . . . -68.78 -43.82 74.91 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.226 0.536 . . . . 0.0 109.626 174.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.474 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 66.8 m80 -73.26 -14.78 61.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.196 175.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.574 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 51.5 m -68.02 -61.15 1.99 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.917 171.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 5.3 ptp180 -57.24 -35.43 69.71 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.386 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.474 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 18.4 mt-10 -55.53 -59.93 4.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.202 176.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.461 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 13.6 m-85 -72.69 -42.29 64.39 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -176.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.41 HD11 ' HA ' ' A' ' 51' ' ' ILE . 10.5 mm -60.72 -51.22 75.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.582 -178.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.78 -30.26 65.35 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.4 -175.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -63.34 -34.52 77.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.03 0.443 . . . . 0.0 110.163 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -67.93 -35.16 77.95 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.8 mt -69.67 -36.17 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 121.466 0.65 . . . . 0.0 109.926 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.03 -26.74 68.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.909 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -46.74 -40.64 13.82 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.178 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -55.79 -42.68 75.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.029 0.442 . . . . 0.0 110.939 -177.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -66.73 -29.63 69.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.728 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.484 ' HA ' ' OD2' ' A' ' 63' ' ' ASP . 22.0 m -74.99 -33.13 61.81 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.159 0.504 . . . . 0.0 110.74 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -75.01 -30.15 61.04 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 172.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 65' ' ' LEU . 38.7 tp -70.26 -25.85 63.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.45 176.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.484 ' OD2' ' HA ' ' A' ' 60' ' ' THR . 28.6 m-20 -59.05 -35.86 74.04 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.862 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.654 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 24.6 mm-40 -60.12 -38.0 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.558 175.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 62' ' ' LEU . 84.7 mt -73.67 -36.27 65.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.622 0.249 . . . . 0.0 110.674 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 80.3 mttt -62.67 -35.97 81.37 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 122.031 0.919 . . . . 0.0 109.282 173.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -71.51 -31.95 67.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.193 -1.367 . . . . 0.0 111.024 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.654 ' HG3' ' O ' ' A' ' 64' ' ' GLU . 62.9 mttm -77.91 -15.22 59.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.013 0.435 . . . . 0.0 110.296 175.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.52 ' O ' ' HD3' ' A' ' 69' ' ' ARG . 4.2 tmt_? -73.02 -6.44 45.49 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.156 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -66.0 -4.81 7.82 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.204 0.526 . . . . 0.0 111.019 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.0 m -81.38 -163.51 0.63 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.43 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -74.37 -40.15 62.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.223 0.535 . . . . 0.0 109.769 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -134.74 146.47 59.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.301 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -72.44 169.2 22.29 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.193 2.595 . . . . 0.0 112.992 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.436 ' HG2' ' HB3' ' A' ' 65' ' ' LEU . 29.4 Cg_exo -63.89 -16.45 54.89 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.996 2.464 . . . . 0.0 112.395 176.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.9 t 52.47 -95.01 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.699 0.8 . . . . 0.0 112.407 175.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -61.93 -40.15 94.5 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.825 0.345 . . . . 0.0 110.765 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -63.75 -32.57 74.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.165 0.507 . . . . 0.0 110.233 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.486 ' HG3' HD12 ' A' ' 62' ' ' LEU . 49.8 tt0 -76.73 -45.26 29.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.456 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.524 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 74.4 t -63.95 -45.38 97.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.555 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.78 -40.71 89.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.599 HD13 ' HD2' ' A' ' 85' ' ' ARG . 55.0 tp -69.84 -44.76 69.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.375 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.418 ' HA ' HH12 ' A' ' 86' ' ' ARG . 48.2 tt0 -53.04 -35.54 59.61 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.193 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 95.6 mt-30 -65.49 -26.48 67.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.154 -177.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.599 ' HD2' HD13 ' A' ' 82' ' ' LEU . 75.5 mtt180 -60.26 -52.03 67.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.099 0.476 . . . . 0.0 109.939 178.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.692 HH11 ' HB3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -65.55 -41.0 93.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.724 177.862 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -62.9 -40.73 98.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.114 0.483 . . . . 0.0 110.359 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -64.79 -38.41 90.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.409 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.476 ' O ' ' HD1' ' A' ' 93' ' ' PHE . 45.4 mt-10 -65.37 -42.45 92.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.237 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.409 HD23 ' HG2' ' A' ' 86' ' ' ARG . 3.7 mm? -55.24 -41.65 72.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.789 0.328 . . . . 0.0 110.561 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -70.32 -46.98 63.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.51 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -58.73 -51.9 67.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.937 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 130' ' ' ASN . 42.3 m-85 -68.82 -28.46 66.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.644 -177.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -65.58 -33.65 76.41 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.297 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.94 2.52 38.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.97 98.62 1.44 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.233 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.47 ' HD2' ' HG ' ' A' ' 99' ' ' CYS . 60.8 t80 -82.94 153.02 25.26 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -178.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.4 tp -71.71 101.3 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.955 0.407 . . . . 0.0 110.119 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.47 ' HG ' ' HD2' ' A' ' 97' ' ' PHE . 85.1 m -128.29 147.79 65.12 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.907 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -75.99 154.29 37.82 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.068 1.845 . . . . 0.0 112.42 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.24 99.7 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 173.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.8 tp -83.23 -1.53 53.34 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.988 -173.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.9 m -113.06 15.9 19.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.514 -176.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -113.99 138.41 50.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.349 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.544 ' HA ' ' CD1' ' A' ' 41' ' ' ILE . . . -76.57 -31.37 57.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.308 -0.405 . . . . 0.0 112.082 -174.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -76.48 -47.31 23.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.001 0.429 . . . . 0.0 109.954 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -59.01 -45.73 89.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.538 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.502 ' HA ' ' HB3' ' A' ' 111' ' ' LEU . 41.6 ttm -69.02 -21.92 64.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -69.68 -40.56 76.31 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.047 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -68.27 -43.42 77.82 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 172.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.502 ' HB3' ' HA ' ' A' ' 108' ' ' MET . 9.5 tt -56.61 -42.79 79.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.432 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.887 ' HG3' HG22 ' A' ' 31' ' ' VAL . 15.9 ttm-85 -69.37 -13.92 62.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 111.158 -176.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -116.96 11.89 14.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.187 0.517 . . . . 0.0 110.516 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.481 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 70.5 t90 -69.0 110.01 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.369 178.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -92.75 28.09 2.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.956 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.479 ' HA2' ' CZ2' ' A' ' 114' ' ' TRP . . . 81.25 14.62 78.51 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.375 -0.917 . . . . 0.0 110.98 -174.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.713 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 2.0 m -67.62 113.5 5.48 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.263 -0.469 . . . . 0.0 110.624 -178.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -65.73 -43.17 89.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.27 -24.37 73.48 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.483 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.713 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 4.9 tt -64.7 -24.17 67.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.048 0.451 . . . . 0.0 109.935 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.455 HD21 HD13 ' A' ' 124' ' ' LEU . 96.2 mt -61.13 -22.15 64.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.396 . . . . 0.0 110.956 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -77.9 -20.72 52.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.757 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 34.8 p -89.67 -13.89 35.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.264 0.554 . . . . 0.0 109.812 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.455 HD13 HD21 ' A' ' 121' ' ' LEU . 82.3 mt -86.89 140.65 29.43 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.006 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -81.06 84.54 6.47 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.716 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 35.0 mt -96.17 124.5 40.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.178 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 17.5 pt -126.31 -176.53 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.1 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 128' ' ' ARG . 20.9 mtp180 -96.65 118.49 33.23 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.443 HD13 ' HB2' ' A' ' 99' ' ' CYS . 48.2 mt -119.4 128.02 75.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 121.065 0.46 . . . . 0.0 110.349 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 1.003 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 21.9 t-20 -68.91 152.77 44.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.908 177.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.521 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 1.8 t70 -33.37 -43.48 0.12 Allowed 'General case' 0 N--CA 1.475 0.798 0 O-C-N 124.694 1.247 . . . . 0.0 113.666 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.521 ' HG3' ' OD2' ' A' ' 131' ' ' ASP . 50.3 mttp -97.45 37.05 1.39 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.963 0.411 . . . . 0.0 111.909 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 63.88 36.6 93.5 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.333 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 1.003 ' HB2' ' HB3' ' A' ' 130' ' ' ASN . 71.3 mm-40 -99.1 137.48 37.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.818 0.342 . . . . 0.0 111.317 -176.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -66.41 119.1 11.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.759 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 37.5 t -121.99 124.31 71.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.947 0.403 . . . . 0.0 110.992 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 54.8 t -100.07 -61.26 2.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 170.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.03 -71.83 1.67 Allowed Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 114.996 -1.002 . . . . 0.0 113.496 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.92 35.19 40.06 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -171.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 60.6 t30 57.84 55.04 5.67 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.575 0.702 . . . . 0.0 109.878 -174.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--O 1.25 1.116 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.418 -178.829 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.735 0.303 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -64.58 165.83 9.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.281 -174.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -79.45 171.14 15.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.562 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -100.22 -5.31 27.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.613 0.72 . . . . 0.0 109.683 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -67.27 121.64 16.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.399 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.7 mt -103.68 130.39 54.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.05 147.5 27.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.057 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.23 170.3 16.47 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.845 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -70.91 88.59 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.143 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -159.49 -57.95 0.06 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.558 176.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -93.89 109.43 21.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.483 ' HB3' ' OE1' ' A' ' 88' ' ' GLN . 90.8 mt -70.92 82.8 0.66 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.736 -174.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -178.88 -39.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.502 175.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -123.18 98.55 5.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.161 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -134.57 174.58 10.39 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.587 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' C ' ' H ' ' A' ' 18' ' ' VAL . 75.7 mmtt -56.58 149.72 16.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.786 0.327 . . . . 0.0 110.424 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -75.81 17.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.083 0.468 . . . . 0.0 110.952 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.459 ' H ' ' C ' ' A' ' 16' ' ' LYS . 92.7 t -58.68 -31.62 44.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.298 175.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -56.0 -38.52 70.57 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.396 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -94.03 -60.18 1.8 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.032 -175.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.3 mt -69.05 -31.85 70.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.563 -168.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.34 -31.13 68.29 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.982 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.668 ' HD3' HD13 ' A' ' 51' ' ' ILE . 83.8 mtt180 -65.09 -41.37 95.07 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.44 -42.56 84.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.527 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 11.4 tmtt? -58.16 -45.31 87.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.642 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -56.56 -45.82 81.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.455 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.623 ' SD ' HD21 ' A' ' 102' ' ' LEU . 63.0 mtt -62.75 -49.97 72.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 178.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 111' ' ' LEU . 35.1 tt0 -53.33 -48.2 68.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.299 0.571 . . . . 0.0 110.418 177.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.55 -52.93 63.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.813 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.502 HG11 ' HB2' ' A' ' 36' ' ' PHE . 54.9 t -58.25 -42.42 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.2 t -71.0 -32.73 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.091 0.472 . . . . 0.0 111.411 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -103.16 7.81 38.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.547 -174.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.643 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 35.5 t -122.82 148.05 45.84 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -63.4 1.69 0.5 Allowed 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.5 m -56.6 -54.13 49.61 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.682 0.277 . . . . 0.0 110.725 175.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.502 ' HB2' HG11 ' A' ' 30' ' ' VAL . 71.2 m-85 -141.16 29.22 1.84 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.037 0.446 . . . . 0.0 110.116 176.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.643 ' HB2' ' O ' ' A' ' 33' ' ' SER . 61.0 tttm -66.74 -11.8 56.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.393 -175.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.77 -18.52 72.38 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.557 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -116.34 94.42 42.52 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.7 -29.01 36.6 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.825 2.35 . . . . 0.0 112.41 -177.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.449 HD12 ' HG3' ' A' ' 108' ' ' MET . 21.6 mm -122.08 136.9 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.032 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -114.16 156.35 24.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.056 0.455 . . . . 0.0 110.599 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -93.12 179.39 5.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.463 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.557 ' O ' ' HB ' ' A' ' 47' ' ' THR . 18.3 m-70 -77.05 -24.09 52.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.885 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.64 -39.47 52.21 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -64.98 -23.63 67.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.466 172.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.557 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 99.9 m -61.24 -57.51 12.1 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 171.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.456 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 20.2 ttt180 -55.83 -40.23 72.51 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.335 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.14 -58.44 8.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.277 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -65.94 -36.32 83.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.872 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.668 HD13 ' HD3' ' A' ' 23' ' ' ARG . 23.2 mm -62.99 -46.65 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.987 176.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -64.38 -36.47 84.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.724 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 34.9 t -56.68 -46.39 81.18 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.023 0.439 . . . . 0.0 110.307 177.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -61.86 -44.77 96.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.675 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.628 HG23 ' HE ' ' A' ' 86' ' ' ARG . 36.4 mt -69.62 -33.68 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.69 -30.76 69.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.927 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 53' ' ' SER . 66.3 mtt-85 -78.07 -17.12 57.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.668 -177.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.14 -38.24 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 172.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.403 ' HB2' ' HD2' ' A' ' 86' ' ' ARG . 17.7 t70 -67.27 -20.43 65.64 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.252 177.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.5 m -64.29 -29.55 70.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.48 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -83.81 -29.75 27.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.542 0.687 . . . . 0.0 109.155 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 37.3 tp -67.34 -48.12 68.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.584 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.423 ' HA ' ' HB3' ' A' ' 66' ' ' LYS . 28.1 t70 -72.73 -21.07 61.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -61.94 -41.42 97.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 174.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.7 mt -68.16 -39.6 82.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.001 174.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.423 ' HB3' ' HA ' ' A' ' 63' ' ' ASP . 27.2 ttpp -71.02 -28.25 64.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.657 -174.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -64.42 -23.57 67.33 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.793 0.33 . . . . 0.0 111.543 176.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.645 ' HB3' ' O ' ' A' ' 71' ' ' SER . 65.0 mttm -77.99 -47.05 19.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.347 -174.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.514 ' HG2' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 51.48 -62.1 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.58 1.552 . . . . 0.0 114.441 -177.502 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.514 ' H ' ' HG2' ' A' ' 69' ' ' ARG . 49.5 ttm-85 -116.39 -41.86 3.07 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.911 -0.493 . . . . 0.0 110.419 178.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.645 ' O ' ' HB3' ' A' ' 68' ' ' LYS . 15.6 m -65.68 132.76 49.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.329 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.512 ' HB3' ' HD3' ' A' ' 68' ' ' LYS . 46.1 t-20 73.7 -32.28 0.24 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.444 0.697 . . . . 0.0 110.29 -178.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.54 ' H ' ' C ' ' A' ' 71' ' ' SER . 10.7 mtm180 73.66 102.66 0.03 OUTLIER Pre-proline 0 C--N 1.333 -0.147 0 C-N-CA 123.892 0.877 . . . . 0.0 110.538 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -64.95 136.84 50.33 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.7 2.267 . . . . 0.0 112.063 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.843 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 37.0 Cg_exo -60.04 113.53 1.7 Allowed 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.778 2.318 . . . . 0.0 111.794 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.0 p -59.17 -31.74 69.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.842 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -86.98 -51.58 5.94 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.856 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.843 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 82.7 mtt180 -59.08 -43.29 91.8 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.2 -47.14 85.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 0.0 110.554 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.44 -43.05 87.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.629 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.9 tp -63.09 -42.48 99.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.705 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.4 tp -67.2 -41.18 86.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.917 0.389 . . . . 0.0 110.221 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -57.96 -48.93 78.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.914 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -71.95 -24.63 61.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.995 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.6 ttp85 -65.94 -46.95 76.3 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.628 ' HE ' HG23 ' A' ' 55' ' ' ILE . 60.3 ttt180 -67.94 -34.61 76.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.854 176.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -55.73 -47.91 76.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.274 175.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.483 ' OE1' ' HB3' ' A' ' 12' ' ' LEU . 36.5 tt0 -63.89 -43.33 96.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.475 177.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -57.34 -45.14 84.63 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.304 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.37 -47.56 70.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.072 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.23 -36.71 82.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.861 0.362 . . . . 0.0 110.656 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.32 -40.51 89.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.302 0.572 . . . . 0.0 109.906 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.434 ' CE1' HG22 ' A' ' 51' ' ' ILE . 33.0 t80 -72.57 -28.19 62.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.817 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -74.96 -37.89 61.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.593 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.28 -39.79 28.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.016 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 145.43 112.24 0.77 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.804 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -116.58 154.49 30.39 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.17 -0.308 . . . . 0.0 110.17 -178.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.1 tp -70.12 98.96 1.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.349 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.49 ' HB2' HD13 ' A' ' 129' ' ' ILE . 38.6 m -128.15 141.61 41.85 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.702 ' HA ' ' HA ' ' A' ' 126' ' ' LEU . 64.1 Cg_endo -75.29 147.33 32.71 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.246 1.964 . . . . 0.0 112.853 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -71.02 114.68 9.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.27 176.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.623 HD21 ' SD ' ' A' ' 27' ' ' MET . 44.0 mt -87.19 -16.83 34.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.807 -177.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.7 p -89.16 21.77 3.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.281 0.562 . . . . 0.0 111.152 -172.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -127.52 125.87 41.18 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.547 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.58 -28.06 62.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.002 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 32.2 mttp -69.8 -36.59 75.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.517 ' OD1' HD23 ' A' ' 124' ' ' LEU . 52.1 t30 -71.74 -37.52 70.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.406 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.52 ' SD ' HD13 ' A' ' 111' ' ' LEU . 20.0 mmt -60.45 -32.89 71.81 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.895 0.378 . . . . 0.0 110.502 173.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.478 ' HB3' ' O ' ' A' ' 106' ' ' LYS . 38.4 tt0 -59.35 -48.28 82.22 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.438 ' HB3' ' HG ' ' A' ' 124' ' ' LEU . 59.3 m-85 -59.26 -33.6 71.24 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.514 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.52 HD13 ' SD ' ' A' ' 108' ' ' MET . 19.6 mt -63.11 -32.97 74.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.95 0.405 . . . . 0.0 110.794 175.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -80.91 -1.81 45.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.399 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -105.48 -30.48 9.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.768 0.318 . . . . 0.0 110.693 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.708 ' HA ' HD11 ' A' ' 120' ' ' LEU . 26.6 t90 -64.97 127.31 31.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.164 0.507 . . . . 0.0 110.751 -178.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -126.92 9.99 6.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.569 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 119.96 -14.72 10.4 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.351 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.2 m -57.31 123.66 16.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 111.064 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.506 ' HA ' HD22 ' A' ' 121' ' ' LEU . 85.6 m-85 -71.51 -33.35 69.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.529 -174.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.26 -18.34 69.23 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.546 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.708 HD11 ' HA ' ' A' ' 114' ' ' TRP . 2.3 tt -79.08 -11.61 59.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.087 0.47 . . . . 0.0 110.105 -177.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 118' ' ' PHE . 3.8 mm? -75.57 -5.55 45.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.212 0.529 . . . . 0.0 110.431 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -99.92 -23.2 15.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.98 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 81.7 p -87.32 -33.36 19.23 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.445 0.64 . . . . 0.0 109.42 176.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.517 HD23 ' OD1' ' A' ' 107' ' ' ASN . 0.7 OUTLIER -70.88 131.98 44.57 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.423 169.399 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 100' ' ' PRO . 14.0 mtm180 -79.34 80.16 5.73 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.05 -177.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.702 ' HA ' ' HA ' ' A' ' 100' ' ' PRO . 8.8 mp -94.87 117.09 29.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 171.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.637 HG13 HG13 ' A' ' 129' ' ' ILE . 29.3 pt -112.63 -171.2 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.384 -177.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 29.1 mtm-85 -96.74 103.6 15.53 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.637 HG13 HG13 ' A' ' 127' ' ' ILE . 35.6 mt -113.92 130.93 67.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.146 -174.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -118.63 144.11 46.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.263 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 46.04 -104.29 0.09 Allowed 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.456 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 39.4 tttm -86.53 50.53 2.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.556 0.693 . . . . 0.0 111.13 -169.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.459 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 62.29 25.89 67.18 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.961 175.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -94.56 137.04 34.17 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.013 0.406 . . . . 0.0 110.34 -174.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -77.32 125.38 29.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.198 0.523 . . . . 0.0 110.219 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 17.3 t -82.89 102.23 8.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.245 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 11.1 m -76.98 -42.02 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.65 -144.07 39.68 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.537 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -95.99 32.49 6.33 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.897 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -128.5 91.46 3.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.959 0.409 . . . . 0.0 110.427 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 C--O 1.245 0.826 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.871 176.267 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -102.69 -28.74 11.93 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 169.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.55 -154.88 0.56 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.064 172.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -70.46 -76.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -176.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.9 mttm 66.92 12.21 8.8 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.633 0.583 . . . . 0.0 110.704 -171.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.0 mt -106.42 113.72 43.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.734 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -122.59 170.54 9.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.171 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.48 133.26 48.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.417 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.85 141.06 55.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -82.83 32.23 0.42 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.857 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -113.55 148.63 35.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.436 -175.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.8 mt -76.92 -24.43 52.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.282 0.563 . . . . 0.0 109.951 175.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -144.35 149.9 36.92 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -70.09 173.3 6.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.096 0.474 . . . . 0.0 111.891 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.21 -64.76 0.76 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.756 -175.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -96.02 132.49 41.32 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.439 ' O ' HD12 ' A' ' 21' ' ' LEU . 8.7 mtm180 -119.16 -161.23 0.84 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.357 -174.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.412 HG11 ' HB2' ' A' ' 22' ' ' ALA . 25.8 t -95.93 -11.84 8.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.532 0.682 . . . . 0.0 109.279 176.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -58.5 -38.95 78.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.704 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -85.44 -51.85 6.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.562 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' ' 17' ' ' ARG . 9.8 mp -63.13 -35.66 81.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.347 -172.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HB2' HG11 ' A' ' 18' ' ' VAL . . . -60.9 -32.27 71.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.838 0.351 . . . . 0.0 111.466 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -77.03 -27.53 54.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.507 -177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.68 -40.46 84.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.949 174.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.686 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 15.7 tttm -72.15 -28.97 63.59 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.617 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.469 ' O ' HG23 ' A' ' 30' ' ' VAL . 85.8 t80 -61.77 -48.04 82.47 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 174.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.664 ' O ' HG21 ' A' ' 31' ' ' VAL . 65.7 mtt -56.13 -48.33 76.44 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 174.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.524 ' HG3' ' HA ' ' A' ' 112' ' ' ARG . 31.4 tt0 -50.71 -56.81 10.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.39 177.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -45.96 82.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.171 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.558 HG13 ' HB2' ' A' ' 36' ' ' PHE . 94.2 t -63.93 -44.64 98.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -177.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.664 HG21 ' O ' ' A' ' 27' ' ' MET . 12.4 t -75.01 -31.8 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.105 0.479 . . . . 0.0 111.186 -177.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -86.38 -29.79 22.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.964 0.412 . . . . 0.0 111.027 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.498 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 40.7 t -85.67 164.75 17.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.057 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.4 -5.82 12.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.052 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.2 m -50.45 -53.08 32.29 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.836 176.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.558 ' HB2' HG13 ' A' ' 30' ' ' VAL . 14.9 m-85 -142.79 23.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.785 177.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.517 ' HZ3' ' HB3' ' A' ' 37' ' ' LYS . 7.2 ttpm? -65.65 -12.15 50.98 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.19 0.519 . . . . 0.0 110.437 178.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.94 -22.05 76.97 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.764 173.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -116.56 109.92 43.19 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.99 -45.74 30.29 Favored 'Trans proline' 0 N--CA 1.471 0.174 0 C-N-CA 122.813 2.342 . . . . 0.0 113.228 -175.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.499 HD11 ' HA ' ' A' ' 105' ' ' ALA . 16.8 mt -137.84 151.64 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -178.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -95.07 -179.52 4.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.595 0.712 . . . . 0.0 112.054 -174.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.24 166.11 12.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.814 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.491 ' O ' ' HB ' ' A' ' 47' ' ' THR . 11.5 m-70 -71.95 -29.61 64.45 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 171.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.89 -27.14 66.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.498 172.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.35 -21.88 45.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.109 176.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.718 ' HG1' HD13 ' A' ' 102' ' ' LEU . 97.4 m -60.57 -60.24 4.12 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 172.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.747 HH11 ' HB3' ' A' ' 132' ' ' LYS . 19.2 ptt180 -60.45 -32.15 71.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.607 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.39 -56.26 22.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.244 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -69.52 -49.99 49.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.983 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.9 mm -62.31 -48.44 88.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.568 -174.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -69.53 -42.52 74.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.201 -176.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.2 m -60.99 -33.58 73.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.748 0.309 . . . . 0.0 110.949 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -65.9 -37.22 85.52 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.444 ' HA ' ' OE2' ' A' ' 89' ' ' GLU . 69.4 mt -69.52 -42.43 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.354 0.597 . . . . 0.0 110.284 175.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.44 -18.68 65.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.611 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 10.3 ttt180 -63.1 -23.8 67.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.666 0.269 . . . . 0.0 110.96 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.457 ' CG ' HH21 ' A' ' 85' ' ' ARG . 21.7 t0 -63.47 -22.13 66.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.253 0.549 . . . . 0.0 110.035 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.11 -25.34 62.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.012 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.6 m -78.26 -36.17 47.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.173 176.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.5 -35.3 75.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.474 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 59.5 tp -69.72 -27.31 64.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.517 174.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.529 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 34.4 t70 -62.72 -29.2 70.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.326 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -59.91 -37.78 80.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.943 173.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.3 mt -79.1 -30.69 43.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.36 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.529 ' HD2' ' HA ' ' A' ' 63' ' ' ASP . 92.1 mttt -63.4 -44.96 93.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.38 177.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.416 ' HE3' ' OD2' ' A' ' 63' ' ' ASP . 95.5 mttt -67.68 -38.17 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.994 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -83.79 24.74 0.86 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -175.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -70.78 94.51 1.04 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 166.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 70' ' ' ARG . 25.3 mtm180 -80.37 72.43 7.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.066 0.46 . . . . 0.0 111.792 -170.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 t 65.82 -73.7 0.06 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.896 173.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -76.81 -41.11 45.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.598 0.237 . . . . 0.0 111.468 -169.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -152.19 152.04 28.74 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-O 120.921 0.391 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -89.25 -179.29 1.99 Allowed 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.451 2.767 . . . . 0.0 110.255 169.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.81 85.88 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.01 1.806 . . . . 0.0 111.439 174.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.1 m -48.66 -48.49 39.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.532 -173.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -89.51 -46.06 8.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.45 -27.43 65.24 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -172.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.458 ' HG3' HD13 ' A' ' 62' ' ' LEU . 53.1 tt0 -71.96 -39.7 69.17 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.72 -35.65 66.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.903 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.32 -42.89 99.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.274 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 1.2 tm? -58.19 -49.65 76.31 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 174.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -58.24 -39.93 80.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.125 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.26 -29.05 65.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.298 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.457 HH21 ' CG ' ' A' ' 58' ' ' ASP . 3.5 tmm_? -68.1 -49.4 61.45 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 174.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -53.7 -42.87 68.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.225 174.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.33 -48.67 72.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.274 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.699 ' HA ' ' HD2' ' A' ' 91' ' ' LYS . 48.9 tt0 -61.77 -36.35 80.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.411 . . . . 0.0 110.869 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.444 ' OE2' ' HA ' ' A' ' 55' ' ' ILE . 22.1 tt0 -65.65 -44.46 86.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.5 178.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -64.9 -26.95 68.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.256 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.699 ' HD2' ' HA ' ' A' ' 88' ' ' GLN . 62.4 mttt -65.51 -52.5 52.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.645 174.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.51 -37.48 87.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.785 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.823 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 49.2 t80 -66.72 -53.06 37.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.144 177.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.736 ' HA ' ' OD1' ' A' ' 130' ' ' ASN . 1.2 ttpm? -81.64 10.55 5.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.687 -171.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -109.5 10.77 25.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.226 0.536 . . . . 0.0 109.842 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.13 80.28 1.49 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.314 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.823 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 60.7 t80 -75.62 145.34 41.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.804 0.335 . . . . 0.0 110.688 -175.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.7 tp -74.37 96.09 2.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.929 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 52.4 t -128.51 142.84 46.1 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.494 -175.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.77 149.97 89.62 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.314 2.01 . . . . 0.0 111.022 172.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.31 -28.67 69.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.366 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.718 HD13 ' HG1' ' A' ' 47' ' ' THR . 81.7 mt 56.53 36.97 28.41 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.115 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.2 m -135.27 -33.48 0.9 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.665 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.66 131.69 35.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.707 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.536 ' O ' ' HG2' ' A' ' 109' ' ' GLU . . . -72.85 -34.61 66.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.208 -175.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -75.42 -33.76 60.97 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.783 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -64.76 -35.88 82.49 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 170.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.414 ' HA ' ' HE3' ' A' ' 108' ' ' MET . 0.0 OUTLIER -63.71 -36.22 83.13 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.022 175.561 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 105' ' ' ALA . 43.2 mm-40 -64.58 -54.84 25.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.381 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -58.9 -32.71 69.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.472 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.411 HD23 ' HE1' ' A' ' 108' ' ' MET . 9.2 tt -62.87 -43.87 97.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.441 177.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.524 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 66.4 mtm180 -75.91 -18.72 59.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.46 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.47 18.24 22.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.981 0.419 . . . . 0.0 111.184 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.686 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 60.7 t90 -81.03 103.13 10.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.254 0.55 . . . . 0.0 110.458 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -88.64 10.18 21.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.705 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 109.7 -5.51 31.07 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.047 176.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.847 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 6.3 m -60.79 127.0 29.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.709 0.29 . . . . 0.0 111.31 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -70.82 -37.43 73.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.327 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -69.07 -15.67 69.88 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.535 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.847 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 3.3 tt -71.76 -25.68 62.14 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.76 -20.28 66.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.399 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -76.67 -17.77 58.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.656 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 42.6 p -94.16 -8.36 39.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.462 0.649 . . . . 0.0 109.971 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 64.5 mt -98.31 130.48 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.287 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.4 mtt85 -78.5 78.74 4.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.918 0.866 . . . . 0.0 110.098 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 35.4 mt -89.14 107.03 18.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.169 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.517 HD11 ' HG3' ' A' ' 135' ' ' GLN . 18.4 pt -106.95 -176.2 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.832 -174.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -96.77 111.05 23.39 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.855 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 48.6 mt -116.01 133.89 61.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.736 ' OD1' ' HA ' ' A' ' 94' ' ' LYS . 60.0 t30 -137.68 162.4 33.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.985 0.421 . . . . 0.0 111.42 -174.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.8 t70 70.87 -87.35 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 114.464 -1.244 . . . . 0.0 112.18 170.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.747 ' HB3' HH11 ' A' ' 48' ' ' ARG . 9.0 mtmp? -135.57 22.79 3.4 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.659 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 109.92 30.72 3.35 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.252 -0.975 . . . . 0.0 113.38 172.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -106.58 144.75 32.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.998 0.428 . . . . 0.0 110.901 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.517 ' HG3' HD11 ' A' ' 127' ' ' ILE . 53.8 tt0 -78.08 120.25 22.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.841 -176.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.6 t -96.8 107.62 20.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.883 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 32.6 m -91.74 171.39 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.749 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -99.74 5.48 58.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.264 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 84.31 13.19 74.36 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.111 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -105.89 -53.77 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.233 0.54 . . . . 0.0 109.745 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.111 -0.947 . . . . 0.0 109.192 178.292 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -96.42 114.0 25.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.005 -176.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -78.05 159.02 28.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.537 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -97.71 157.12 16.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.108 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -78.18 -29.47 48.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.478 0.656 . . . . 0.0 109.296 174.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.4 mt -121.24 122.39 67.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.461 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.9 161.94 27.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.482 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.75 -29.66 66.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.165 0.507 . . . . 0.0 110.904 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -117.38 162.03 18.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.965 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.559 ' NZ ' ' HB3' ' A' ' 10' ' ' LYS . 5.7 mtpm? -76.46 133.33 39.85 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.18 0.514 . . . . 0.0 112.291 -176.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.1 124.04 18.64 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 163.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 92.9 mt -81.26 -84.06 0.11 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -167.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.46 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 60.8 t-80 165.95 -25.53 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -168.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -123.68 29.23 6.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.732 -177.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -67.69 -32.88 73.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.004 -174.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -117.47 140.75 49.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.645 175.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -74.18 0.92 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -171.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.52 ' HA ' ' HB2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -72.91 0.58 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.348 176.874 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -83.68 -26.74 29.56 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 173.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -84.79 -37.59 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 172.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.52 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 84.8 mt -67.69 -27.84 67.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.899 174.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -62.11 -21.99 65.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.291 176.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 23' ' ' ARG . 42.1 mtt180 -69.91 -37.66 76.03 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.9 t -68.63 -39.36 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.566 173.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -65.3 -33.54 76.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.823 177.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.442 ' O ' HG22 ' A' ' 30' ' ' VAL . 45.5 t80 -59.54 -45.59 91.35 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.626 ' O ' HG21 ' A' ' 31' ' ' VAL . 61.3 mtt -57.49 -47.9 80.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.688 174.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -52.61 -54.09 37.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.051 176.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.09 -47.48 71.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.558 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.494 HG13 ' HB2' ' A' ' 36' ' ' PHE . 77.4 t -62.72 -42.28 95.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 -177.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.626 HG21 ' O ' ' A' ' 27' ' ' MET . 11.8 t -72.22 -15.86 18.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 121.257 0.551 . . . . 0.0 110.63 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -105.04 -1.58 25.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.744 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 t -105.1 164.89 11.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.082 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -65.7 -20.76 66.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.704 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 m -47.78 -48.72 30.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.517 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.494 ' HB2' HG13 ' A' ' 30' ' ' VAL . 22.7 m-85 -141.3 38.37 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.062 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -58.11 -12.36 3.4 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.03 -22.31 39.01 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.83 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -116.65 107.22 46.95 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.917 0.359 . . . . 0.0 111.409 -178.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.48 -28.57 10.04 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.579 2.186 . . . . 0.0 111.302 174.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 105' ' ' ALA . 14.2 mm -121.92 150.73 25.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.426 -178.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.789 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 67.5 m-85 -122.05 -169.89 1.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.164 0.507 . . . . 0.0 111.324 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -122.7 163.79 19.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.296 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.852 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 50.6 m170 -61.38 -23.56 65.87 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.85 74.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.203 0.525 . . . . 0.0 110.19 173.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.449 ' HA ' ' HB3' ' A' ' 49' ' ' GLU . 89.8 m-70 -81.69 -16.48 51.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.082 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.521 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 56.0 m -60.85 -59.18 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 171.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.544 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 23.2 ttt180 -57.98 -39.22 77.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.2 177.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.449 ' HB3' ' HA ' ' A' ' 46' ' ' HIS . 41.8 tt0 -53.46 -55.27 26.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.651 176.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -68.68 -44.77 73.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.758 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 47' ' ' THR . 42.3 mm -62.73 -48.66 87.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.147 -177.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -65.53 -35.44 80.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.843 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.5 m -63.12 -35.66 81.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 110.993 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -72.02 -35.51 69.43 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.487 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 71.0 mt -68.05 -36.27 74.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.15 0.5 . . . . 0.0 110.189 176.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -69.32 -23.01 63.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.416 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -65.76 -12.24 52.35 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.507 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.487 ' HB3' ' O ' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -57.3 -46.08 83.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.984 170.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.448 ' HA ' ' HB3' ' A' ' 62' ' ' LEU . 5.9 t70 -68.23 -21.95 64.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.104 -177.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.6 m -65.72 -47.72 74.41 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.339 175.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.43 -33.83 63.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.073 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.448 ' HB3' ' HA ' ' A' ' 59' ' ' ASP . 54.8 tp -65.43 -31.46 72.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.405 176.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.696 ' HA ' ' CE ' ' A' ' 66' ' ' LYS . 21.7 t70 -64.91 -36.69 85.17 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.444 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -62.26 -40.88 97.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.275 175.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 79' ' ' GLN . 80.6 mt -67.88 -37.01 81.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.74 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.696 ' CE ' ' HA ' ' A' ' 63' ' ' ASP . 49.7 mtmt -67.35 -35.81 80.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.605 176.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -79.32 -37.59 37.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.722 -176.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -78.34 -4.7 49.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.333 0.587 . . . . 0.0 110.367 177.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 66' ' ' LYS . 60.2 ttt180 -78.08 69.61 4.32 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 172.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -75.03 -43.89 50.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.715 -174.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.1 p -87.96 176.88 7.13 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.488 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -88.34 20.77 3.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.676 0.751 . . . . 0.0 109.396 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -124.15 76.46 59.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.613 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -63.47 144.15 89.83 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.89 2.393 . . . . 0.0 112.482 177.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.476 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 12.7 Cg_exo -71.25 84.47 0.91 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.497 2.131 . . . . 0.0 111.313 175.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.7 t -54.65 -43.46 72.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.961 0.41 . . . . 0.0 110.544 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -66.34 -23.48 66.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.817 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.476 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 17.3 mtm180 -98.61 -45.78 5.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 111.188 -179.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.507 ' HA ' HD12 ' A' ' 65' ' ' LEU . 51.8 tt0 -69.86 -37.13 76.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.807 0.337 . . . . 0.0 110.813 -175.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.3 t -72.86 -30.07 31.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.062 0.458 . . . . 0.0 109.91 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 84' ' ' GLN . 54.6 tp -68.6 -33.93 74.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.207 177.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -64.75 -45.98 84.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -60.61 -19.05 56.76 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.254 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.413 ' HG2' ' HA ' ' A' ' 81' ' ' LEU . 29.1 mm-40 -60.18 -35.73 76.03 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.755 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.4 mtm105 -65.16 -48.52 73.21 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.07 0.462 . . . . 0.0 110.062 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -50.05 -55.62 14.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.013 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.44 -37.96 74.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.761 -177.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.459 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 10.2 tm0? -71.29 -44.5 65.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -176.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -70.93 -25.55 62.8 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.955 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.1 -35.5 69.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.977 0.417 . . . . 0.0 109.96 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 88' ' ' GLN . 43.0 tttm -60.46 -50.12 74.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.372 174.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.83 -28.7 67.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.193 178.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.11 -39.65 90.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.258 0.551 . . . . 0.0 110.157 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -77.51 -35.79 53.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.104 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.42 -25.53 33.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.873 -174.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 117.71 108.78 2.47 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.596 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.438 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 49.1 t80 -95.59 145.58 25.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -176.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.427 ' HG ' ' HB3' ' A' ' 126' ' ' LEU . 21.0 tp -75.5 103.04 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.529 -178.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.783 ' HB2' HD12 ' A' ' 129' ' ' ILE . 12.7 m -128.32 150.4 74.08 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.381 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.97 150.88 49.58 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.054 1.836 . . . . 0.0 111.034 174.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -71.26 107.38 4.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.286 0.565 . . . . 0.0 109.635 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.789 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 12.0 tp -74.78 3.83 7.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.211 -172.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 62.5 m -121.79 11.0 10.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.551 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 108' ' ' MET . 13.7 t70 -92.65 103.53 15.9 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.49 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -56.25 -35.97 68.0 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -168.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.572 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 38.1 tttm -88.98 -25.63 21.92 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 119.769 -0.772 . . . . 0.0 111.156 -176.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.454 ' HB2' ' OD1' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -73.48 -33.08 64.66 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 172.731 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' A' ' 104' ' ' ASP . 94.9 mmm -67.37 -26.04 66.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.83 172.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.572 ' HB3' ' O ' ' A' ' 106' ' ' LYS . 34.8 tt0 -64.03 -49.82 70.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.828 173.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -64.47 -36.83 85.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.081 0.467 . . . . 0.0 110.159 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.412 ' HB3' ' HA ' ' A' ' 108' ' ' MET . 9.0 tt -66.97 -40.71 87.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.951 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.591 ' HE ' HG12 ' A' ' 31' ' ' VAL . 27.2 ttt180 -76.62 -27.3 55.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.76 0.314 . . . . 0.0 110.978 -177.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -105.19 20.76 18.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.186 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -62.4 110.22 1.59 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.51 0.671 . . . . 0.0 110.374 -176.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -76.68 -11.19 59.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.593 -177.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 91.32 58.29 1.47 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.417 -176.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.7 t -140.25 149.73 43.22 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -176.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.54 ' HA ' HD21 ' A' ' 121' ' ' LEU . 71.4 t80 -80.06 -16.12 55.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.01 0.433 . . . . 0.0 110.077 -177.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.2 -34.62 89.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.952 177.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 120' ' ' LEU . 49.4 mt -76.68 -2.36 32.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.79 0.329 . . . . 0.0 111.349 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.54 HD21 ' HA ' ' A' ' 118' ' ' PHE . 4.5 mm? -85.24 -6.49 59.26 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.5 -33.14 17.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.294 171.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 75.9 p -80.41 -34.63 36.05 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.251 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 73.3 mt -75.74 130.43 38.64 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.269 174.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.432 HH12 ' CG ' ' A' ' 104' ' ' ASP . 1.7 mpp_? -104.72 82.28 1.87 Allowed 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.427 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . 10.4 mp -71.53 122.24 20.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.827 177.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.518 HD11 ' HG3' ' A' ' 135' ' ' GLN . 20.6 pt -106.6 177.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.198 -177.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.477 HH21 ' CD ' ' A' ' 141' ' ' GLU . 15.1 ttm180 -96.7 119.72 35.69 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.783 HD12 ' HB2' ' A' ' 99' ' ' CYS . 51.9 mt -112.05 129.18 67.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.287 0.565 . . . . 0.0 111.229 -176.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -106.57 129.97 54.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.998 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.524 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 28.6 t70 64.23 -80.98 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.158 0.911 . . . . 0.0 112.812 171.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.697 ' HZ2' ' HB2' ' A' ' 132' ' ' LYS . 10.3 mtmp? -104.86 -69.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.176 0.513 . . . . 0.0 110.963 -178.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.852 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . -157.65 32.68 0.53 Allowed Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 129' ' ' ILE . 1.5 mp0 -83.76 129.53 34.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.38 -0.41 . . . . 0.0 110.065 -177.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.518 ' HG3' HD11 ' A' ' 127' ' ' ILE . 50.8 tt0 -86.43 106.4 17.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.155 0.502 . . . . 0.0 110.654 -175.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.436 ' HB ' ' HB3' ' A' ' 128' ' ' ARG . 3.5 t -82.58 90.36 2.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.61 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.484 HG13 ' HG2' ' A' ' 135' ' ' GLN . 18.5 m -91.59 157.34 2.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.95 -177.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.44 13.13 60.36 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.607 -0.806 . . . . 0.0 111.698 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.62 -15.66 81.08 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.608 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 56.7 75.8 0.34 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.299 0.571 . . . . 0.0 110.553 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.477 ' CD ' HH21 ' A' ' 128' ' ' ARG . 42.8 mt-10 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.636 -0.697 . . . . 0.0 109.8 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.6 mtp . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.917 0.389 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.505 ' HG2' ' H ' ' A' ' 4' ' ' ASP . 61.7 ttt180 -120.45 139.6 52.61 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -79.3 -18.26 53.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.923 0.392 . . . . 0.0 110.695 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.505 ' H ' ' HG2' ' A' ' 2' ' ' ARG . 25.9 m-20 -77.63 140.17 39.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.802 178.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -105.97 153.61 21.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.238 -178.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.2 tt -126.53 154.53 36.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.349 -176.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.84 150.23 30.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.331 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.15 -27.2 63.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.021 0.439 . . . . 0.0 111.081 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -91.62 142.53 27.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.381 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.6 14.39 1.67 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.607 -177.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -64.41 -30.82 71.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.108 0.48 . . . . 0.0 110.175 175.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.3 tp -81.73 -6.15 58.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.707 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -75.18 -24.13 57.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.128 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 55.12 76.93 0.23 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.158 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -84.98 151.01 24.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.247 -173.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.775 ' HD3' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -75.82 -29.32 58.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.081 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -67.1 -27.91 67.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.043 0.449 . . . . 0.0 110.195 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -67.34 -34.96 72.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.103 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -74.93 -8.85 57.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.373 0.606 . . . . 0.0 110.059 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -95.72 -46.79 6.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.572 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.7 mt -72.47 -29.23 63.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.011 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.488 ' HA ' ' HB3' ' A' ' 25' ' ' LYS . . . -56.42 -20.09 18.02 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 176.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -65.62 -39.46 91.52 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 70.3 t -73.88 -35.91 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.835 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' HB3' ' HA ' ' A' ' 22' ' ' ALA . 51.0 tptt -56.51 -45.67 80.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.514 175.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -60.18 -44.35 95.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.491 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.446 ' O ' HG21 ' A' ' 31' ' ' VAL . 65.9 mtt -55.49 -45.89 76.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.717 176.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -62.88 -49.0 76.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.77 0.319 . . . . 0.0 110.602 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -60.21 -45.75 92.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.393 -177.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.533 HG23 ' HB2' ' A' ' 36' ' ' PHE . 9.4 p -67.8 -28.81 42.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 120.642 0.258 . . . . 0.0 111.479 -175.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 27' ' ' MET . 74.7 t -77.59 -35.01 21.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.064 0.459 . . . . 0.0 110.754 177.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -89.63 -7.59 54.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.92 -176.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 62.4 p -105.21 164.94 11.45 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -76.63 1.79 15.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.38 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.9 m -59.14 -50.35 74.38 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.994 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.533 ' HB2' HG23 ' A' ' 30' ' ' VAL . 28.5 m-85 -136.1 27.6 3.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 178.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 33' ' ' SER . 4.0 ttpm? -64.84 -14.29 58.87 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.008 0.432 . . . . 0.0 110.818 178.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.06 13.95 60.15 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.089 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.436 ' HG3' ' HD1' ' A' ' 36' ' ' PHE . 25.3 mm-40 -116.09 125.15 28.86 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 176.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -67.7 -70.94 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.433 2.089 . . . . 0.0 111.63 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 105' ' ' ALA . 46.0 mm -131.93 148.42 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.439 ' HD2' ' HE1' ' A' ' 108' ' ' MET . 81.9 m-85 -94.75 -171.81 2.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.39 0.614 . . . . 0.0 111.479 -177.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.68 ' HA ' ' HG ' ' A' ' 103' ' ' SER . 2.2 p30 -135.15 -174.12 3.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.219 -177.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.468 ' O ' ' HB ' ' A' ' 47' ' ' THR . 34.0 m170 -80.63 -21.36 41.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.849 0.357 . . . . 0.0 110.678 -177.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.02 -41.11 78.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.154 0.502 . . . . 0.0 110.013 176.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.449 ' HD1' ' CG ' ' A' ' 43' ' ' ASP . 61.9 m80 -69.17 -25.6 64.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.513 175.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.468 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 97.0 m -60.18 -53.44 57.65 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 170.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 48' ' ' ARG . 9.5 ttp85 -52.72 -47.48 67.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.593 175.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -59.11 -56.49 21.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.728 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -66.58 -46.6 75.44 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.494 ' HA ' ' HD2' ' A' ' 54' ' ' PHE . 46.6 mm -61.85 -39.43 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.886 0.374 . . . . 0.0 110.395 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -62.26 -42.89 99.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.058 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.685 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 85.9 p -61.59 -37.59 84.44 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.62 -178.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.494 ' HD2' ' HA ' ' A' ' 51' ' ' ILE . 49.6 m-85 -58.2 -47.14 84.39 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.916 0.388 . . . . 0.0 110.432 176.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.7 mt -59.79 -40.18 81.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.003 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -77.52 -13.81 59.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.909 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.685 ' HG3' ' O ' ' A' ' 53' ' ' SER . 63.5 mtp180 -82.94 -9.44 59.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.802 0.334 . . . . 0.0 110.752 178.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.79 -24.42 66.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.857 0.837 . . . . 0.0 109.131 171.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.22 -13.65 62.4 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.582 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 m -67.15 -37.1 83.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.788 0.328 . . . . 0.0 110.639 176.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -81.48 -30.55 33.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.217 0.532 . . . . 0.0 109.821 175.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.761 HD12 HD13 ' A' ' 65' ' ' LEU . 31.0 tp -68.22 -26.27 65.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.69 175.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.442 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 6.8 t70 -65.81 -30.37 70.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.203 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -66.11 -27.71 68.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.37 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.816 HD22 ' HG2' ' A' ' 75' ' ' PRO . 76.5 mt -80.41 -35.65 34.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.517 175.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.442 ' HD2' ' HA ' ' A' ' 63' ' ' ASP . 99.2 mttt -63.65 -36.17 82.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.672 176.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 63.6 mttp -64.92 -22.83 67.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.631 178.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.4 mttp -89.09 12.9 14.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -178.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 69' ' ' ARG . 25.9 ttm180 -66.39 -22.99 66.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.104 0.478 . . . . 0.0 109.904 172.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.494 ' N ' ' HD2' ' A' ' 70' ' ' ARG . 2.8 mpt_? -80.83 5.06 17.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.403 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.0 m -92.49 -164.73 1.22 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.162 171.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -86.48 -27.61 23.96 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.444 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 73' ' ' ARG . 43.1 ttm180 -157.15 117.09 2.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.443 -174.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 31.1 Cg_exo -60.61 146.35 97.23 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.638 2.225 . . . . 0.0 111.506 171.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.816 ' HG2' HD22 ' A' ' 65' ' ' LEU . 23.3 Cg_exo -65.55 90.07 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 123.03 2.487 . . . . 0.0 112.848 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.0 m -59.76 -35.24 74.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.733 0.301 . . . . 0.0 111.025 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -72.92 -49.33 30.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.919 0.39 . . . . 0.0 110.514 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.535 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 37.7 mmt180 -68.99 -46.13 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.64 -176.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.488 ' HG3' HD13 ' A' ' 62' ' ' LEU . 50.0 tt0 -58.71 -47.58 84.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.336 -176.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.474 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 99.5 t -68.92 -47.1 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.661 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.29 -34.91 72.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.767 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.444 HD12 ' HD2' ' A' ' 85' ' ' ARG . 50.5 tp -71.45 -49.54 40.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.093 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.416 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 53.3 tt0 -63.19 -28.37 70.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.719 0.295 . . . . 0.0 111.251 -177.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 97.8 mt-30 -60.07 -28.4 67.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.67 0.271 . . . . 0.0 111.26 177.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.444 ' HD2' HD12 ' A' ' 82' ' ' LEU . 99.5 mtt180 -66.03 -49.16 68.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.823 -178.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 83' ' ' GLN . 8.4 ptp180 -69.93 -28.62 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.379 . . . . 0.0 110.187 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -70.55 -41.72 72.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.49 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -63.67 -42.0 98.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.895 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -55.7 -47.73 76.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.828 175.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.8 mt -56.13 -42.97 77.77 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.258 176.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -64.74 -46.41 82.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.358 -178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -69.13 -40.15 78.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.714 0.292 . . . . 0.0 110.567 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.854 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 37.5 t80 -64.16 -39.15 93.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.925 0.393 . . . . 0.0 110.476 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.453 ' HA ' ' N ' ' A' ' 131' ' ' ASP . 65.3 tttp -67.07 -35.59 80.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.15 -27.32 60.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.993 0.425 . . . . 0.0 110.944 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.67 84.67 0.26 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.619 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.868 ' HD2' ' HG ' ' A' ' 99' ' ' CYS . 53.2 t80 -82.03 149.13 28.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.04 98.67 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.989 0.423 . . . . 0.0 110.743 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.868 ' HG ' ' HD2' ' A' ' 97' ' ' PHE . 83.7 m -128.41 148.39 67.81 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.045 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -76.52 142.33 23.3 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.149 1.899 . . . . 0.0 111.881 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.48 109.53 5.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.03 0.443 . . . . 0.0 109.859 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.424 HD23 ' SD ' ' A' ' 27' ' ' MET . 16.8 mt -83.72 -0.56 51.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.126 -175.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.68 ' HG ' ' HA ' ' A' ' 43' ' ' ASP . 67.4 m -97.52 -1.11 44.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.061 0.458 . . . . 0.0 111.112 -178.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.407 ' OD2' ' HB2' ' A' ' 106' ' ' LYS . 18.2 t70 -100.9 116.4 32.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.114 177.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.426 ' HA ' HD13 ' A' ' 41' ' ' ILE . . . -67.12 -23.74 65.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.898 -176.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.407 ' HB2' ' OD2' ' A' ' 104' ' ' ASP . 92.4 mttt -76.14 -48.92 18.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -63.52 -39.5 94.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.807 178.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.439 ' HE1' ' HD2' ' A' ' 42' ' ' PHE . 27.0 ttm -70.3 -25.89 63.53 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.939 178.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -70.97 -39.49 72.49 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -62.41 -46.22 89.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.081 0.467 . . . . 0.0 110.287 172.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.57 -31.75 71.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.707 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -67.54 -34.23 76.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.13 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -106.79 20.73 18.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.489 0.662 . . . . 0.0 110.293 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -61.87 148.08 44.55 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.142 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -132.98 -177.26 4.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.866 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.49 61.31 3.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.53 175.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.0 m -132.84 113.74 13.26 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.676 -0.262 . . . . 0.0 110.488 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.542 ' HA ' HD23 ' A' ' 121' ' ' LEU . 82.5 t80 -64.18 -23.97 67.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.059 0.457 . . . . 0.0 110.446 178.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.18 -21.27 68.0 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.457 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 63.8 mt -77.08 -12.6 59.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.096 0.474 . . . . 0.0 110.744 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.542 HD23 ' HA ' ' A' ' 118' ' ' PHE . 4.0 mm? -79.51 -6.73 57.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.541 0.686 . . . . 0.0 109.236 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -99.71 -30.56 12.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.2 175.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 44.7 p -77.12 -35.44 56.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.764 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.44 139.5 57.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.598 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 mtm-85 -84.41 77.14 10.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.843 0.83 . . . . 0.0 109.016 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 24.0 mt -83.34 121.82 27.65 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.442 -1.254 . . . . 0.0 109.614 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 35.6 pt -118.67 -177.45 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.986 -175.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 43.2 mtt-85 -96.82 127.99 43.34 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.071 174.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 99' ' ' CYS . 53.0 mt -115.64 124.21 71.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.266 174.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.453 HD21 HG21 ' A' ' 136' ' ' VAL . 29.1 p30 -104.12 169.65 8.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.118 0.485 . . . . 0.0 111.972 -171.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.453 ' N ' ' HA ' ' A' ' 94' ' ' LYS . 13.4 t70 50.74 -91.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.887 178.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.45 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 62.7 mttp -149.45 79.91 1.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.411 ' O ' ' HB3' ' A' ' 44' ' ' HIS . . . 76.43 38.46 33.26 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.948 177.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.402 ' HB2' ' OD1' ' A' ' 130' ' ' ASN . 54.8 mt-10 -117.55 156.82 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.619 -0.342 . . . . 0.0 110.499 176.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -84.21 133.82 34.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.183 -168.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.453 HG21 HD21 ' A' ' 130' ' ' ASN . 59.2 t -106.2 136.38 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 169.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.5 t -67.21 -42.81 88.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.204 0.526 . . . . 0.0 110.379 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 129.41 15.4 2.02 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.59 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -76.86 5.31 48.73 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.804 -177.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -92.74 -3.83 54.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.169 0.509 . . . . 0.0 109.975 177.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.587 -0.72 . . . . 0.0 109.726 178.481 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 57.82 -95.02 0.05 Allowed 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.673 0.608 . . . . 0.0 111.395 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.495 ' HG3' ' HE3' ' A' ' 5' ' ' LYS . 6.8 pm0 -64.46 -34.03 77.26 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 176.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.3 t70 53.2 98.71 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 114.719 -1.128 . . . . 0.0 112.773 170.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' HE3' ' HG3' ' A' ' 3' ' ' GLU . 79.4 mttt -112.63 21.37 15.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.843 -176.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.575 HD12 ' HE3' ' A' ' 9' ' ' LYS . 35.2 pt -98.6 -9.18 9.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -173.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 58.73 -155.71 0.34 Allowed 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.247 0.342 . . . . 0.0 111.192 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 72.71 -38.93 0.43 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.775 0.83 . . . . 0.0 112.592 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.575 ' HE3' HD12 ' A' ' 6' ' ' ILE . 98.3 mttt -67.25 -40.22 86.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.784 0.326 . . . . 0.0 111.145 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -75.42 134.73 40.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.183 0.516 . . . . 0.0 110.258 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -67.69 -16.37 64.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.685 -165.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.6 -34.08 77.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.784 -0.189 . . . . 0.0 110.89 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 59.96 96.38 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -78.11 -13.12 59.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.657 0.742 . . . . 0.0 109.002 172.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.47 -35.24 69.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.646 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.485 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 53.7 tptt -57.67 -33.13 68.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.026 -176.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -85.06 -2.25 57.77 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -174.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.8 t -69.7 -38.51 76.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 168.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.485 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 34.5 t60 -59.28 -19.4 45.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.854 173.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.506 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . 21.3 mt-10 -93.89 -61.0 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.539 177.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.8 mt -68.27 -30.55 69.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -170.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.88 -31.16 69.53 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.071 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.506 ' HE ' ' HA ' ' A' ' 20' ' ' GLU . 54.4 mtm180 -65.11 -52.16 57.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.456 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t -63.19 -38.45 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.166 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HG2' ' HZ3' ' A' ' 114' ' ' TRP . 5.1 tmtt? -57.91 -48.43 79.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.037 177.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -64.65 -46.17 83.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.522 ' O ' HG22 ' A' ' 31' ' ' VAL . 65.7 mtt -55.89 -47.51 77.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.568 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -62.95 -49.34 75.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.186 0.517 . . . . 0.0 110.767 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.91 -40.62 89.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.287 -174.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.528 HG22 ' HB2' ' A' ' 36' ' ' PHE . 9.9 p -75.52 -28.66 20.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.616 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 27' ' ' MET . 98.4 t -77.72 -37.07 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.096 0.474 . . . . 0.0 110.604 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -78.75 -20.59 49.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.695 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.519 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 60.3 p -96.76 167.38 11.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.795 0.331 . . . . 0.0 110.479 177.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.44 -9.22 52.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.749 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.0 m -58.02 -40.83 81.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.317 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.528 ' HB2' HG22 ' A' ' 30' ' ' VAL . 6.2 m-85 -144.08 21.63 1.75 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 33' ' ' SER . 6.8 ttpm? -68.44 -10.01 52.47 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.098 0.475 . . . . 0.0 110.332 178.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.02 -17.88 79.31 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.863 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -116.86 96.6 49.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.508 ' O ' ' HG2' ' A' ' 108' ' ' MET . 31.8 Cg_exo -61.94 -27.79 80.22 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.602 2.201 . . . . 0.0 112.153 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.6 mm -130.1 145.69 35.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.874 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.596 ' HB2' ' HB3' ' A' ' 102' ' ' LEU . 54.7 m-85 -112.79 175.38 5.46 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 175.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -117.79 -172.78 2.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.344 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.55 ' O ' ' HB ' ' A' ' 47' ' ' THR . 37.4 m80 -80.06 -23.62 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.837 -175.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.25 -39.28 75.12 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 177.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -68.99 -21.82 64.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.892 176.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.55 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 53.6 m -60.08 -58.52 8.17 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 170.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.402 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 19.6 ttt180 -53.92 -42.48 68.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.779 176.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.37 -56.8 16.63 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.469 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.2 -42.72 68.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.453 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.5 mm -65.25 -39.86 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.23 -177.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -63.74 -41.24 98.07 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.621 0.248 . . . . 0.0 110.564 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.9 m -65.06 -32.32 73.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.877 0.37 . . . . 0.0 111.018 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.4 ' HE2' ' HD1' ' A' ' 19' ' ' HIS . 81.6 t80 -62.57 -39.71 94.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.063 0.458 . . . . 0.0 109.857 175.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.5 mt -72.69 -36.9 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.06 176.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.19 -33.21 67.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.297 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -74.24 0.85 12.87 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -62.89 -32.3 73.54 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.84 -31.41 71.66 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.152 176.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.4 m -65.36 -47.31 76.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.069 0.461 . . . . 0.0 110.334 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 43.1 mt-10 -68.6 -36.62 78.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.176 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.427 HD11 ' HG3' ' A' ' 79' ' ' GLN . 30.9 tp -58.24 -42.93 87.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.059 175.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 66' ' ' LYS . 24.4 t70 -72.06 -19.07 61.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.794 0.33 . . . . 0.0 110.448 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 54.8 mm-40 -66.91 -41.01 87.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.343 171.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.2 mp -66.47 -40.71 89.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.804 0.811 . . . . 0.0 109.282 172.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 63' ' ' ASP . 9.8 tttm -63.59 -37.5 87.57 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.939 -1.482 . . . . 0.0 111.356 -176.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -99.17 1.43 44.93 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -67.54 -34.45 77.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.995 0.426 . . . . 0.0 110.244 -177.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.542 ' HG3' ' HB2' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -99.57 23.48 9.43 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.158 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 67.17 -85.79 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.741 176.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.1 p -158.38 17.98 0.22 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.436 0.636 . . . . 0.0 109.62 176.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.542 ' HB2' ' HG3' ' A' ' 69' ' ' ARG . 10.1 m120 -82.03 -61.29 1.95 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.417 -175.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -133.14 118.1 15.0 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.345 -176.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.06 143.98 99.57 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.737 2.291 . . . . 0.0 111.62 174.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.648 ' HG2' ' HB2' ' A' ' 79' ' ' GLN . 12.4 Cg_endo -57.3 -22.87 51.5 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.042 2.495 . . . . 0.0 112.71 -178.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.4 p 45.61 -93.77 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.121 0.968 . . . . 0.0 113.278 175.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -65.15 -37.13 86.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 110.646 -178.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -76.15 -22.73 55.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.688 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.648 ' HB2' ' HG2' ' A' ' 75' ' ' PRO . 51.4 tt0 -71.41 -43.05 67.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.889 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 59.9 t -66.22 -37.54 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.42 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.4 tp -59.02 -33.41 70.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.583 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.408 HD12 ' HB2' ' A' ' 62' ' ' LEU . 3.5 tm? -69.53 -46.82 65.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.889 177.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.542 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 30.5 tt0 -57.52 -35.05 69.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.15 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 97.3 mt-30 -58.9 -20.83 55.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.741 -177.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -63.06 -50.9 68.78 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 83' ' ' GLN . 18.4 ptp180 -69.42 -34.2 74.1 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.3 -175.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.92 -55.34 35.34 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.08 0.466 . . . . 0.0 110.552 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -61.66 -42.2 98.59 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.003 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.513 ' HA ' ' OE1' ' A' ' 89' ' ' GLU . 1.6 tp10 -70.19 -37.1 75.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.628 -176.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.596 ' HA ' ' HD2' ' A' ' 93' ' ' PHE . 53.3 mt -62.16 -35.46 78.87 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 175.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.41 -30.03 70.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.911 176.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.445 ' HB3' ' O ' ' A' ' 89' ' ' GLU . 34.6 tt0 -70.57 -49.38 48.53 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.849 173.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.646 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 82.3 m-85 -58.25 -41.42 84.17 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.943 0.401 . . . . 0.0 111.429 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -74.56 -8.03 55.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.728 -176.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.96 2.08 37.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.86 0.362 . . . . 0.0 111.235 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.87 81.85 1.55 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.497 -0.858 . . . . 0.0 111.392 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.646 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 34.0 t80 -75.22 130.48 39.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.609 0.243 . . . . 0.0 110.977 -174.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.3 tp -69.71 98.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.092 0.473 . . . . 0.0 110.261 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.596 ' SG ' ' HD2' ' A' ' 100' ' ' PRO . 35.9 t -128.19 144.94 53.59 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.578 -176.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.596 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 43.9 Cg_endo -71.1 134.03 24.34 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.952 1.768 . . . . 0.0 110.836 175.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -71.74 104.38 3.38 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.444 -0.502 . . . . 0.0 109.779 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.596 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 68.7 mt -64.68 -24.74 67.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.599 -177.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 p -80.88 -2.14 46.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.973 0.416 . . . . 0.0 111.408 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.492 ' HB3' ' HB3' ' A' ' 107' ' ' ASN . 14.0 t70 -95.83 123.45 39.42 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.854 176.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.47 -36.09 65.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.794 -173.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -68.55 -43.2 77.16 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.627 ' HB2' ' HB2' ' A' ' 125' ' ' ARG . 9.0 t30 -60.02 -45.34 93.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.686 175.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.508 ' HG2' ' O ' ' A' ' 40' ' ' PRO . 48.5 tpp -63.15 -35.13 79.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.671 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -67.62 -43.94 79.23 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.618 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -63.78 -35.52 80.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.925 0.393 . . . . 0.0 110.345 175.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.484 HD21 ' SD ' ' A' ' 108' ' ' MET . 8.8 tt -65.63 -45.55 82.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.361 177.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.5 ttp85 -60.9 -29.59 69.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.32 0.581 . . . . 0.0 111.083 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -106.69 21.48 17.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.579 -173.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.541 ' HZ3' ' HG2' ' A' ' 25' ' ' LYS . 61.2 t90 -69.42 143.25 53.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.688 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -130.51 -171.75 2.63 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.49 62.93 2.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.433 175.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.437 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 23.9 m -131.52 119.04 20.98 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.484 0.313 . . . . 0.0 110.246 -175.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -76.9 -33.43 57.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.079 0.466 . . . . 0.0 110.298 -177.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -70.81 -11.67 69.74 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.928 -0.654 . . . . 0.0 112.539 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.473 ' O ' HD23 ' A' ' 120' ' ' LEU . 2.6 tt -71.45 -22.37 61.84 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.478 HD12 HD13 ' A' ' 124' ' ' LEU . 4.2 mm? -65.64 -26.12 67.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.24 178.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -79.27 -15.0 58.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 80.4 p -99.7 1.96 43.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.451 . . . . 0.0 110.791 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.478 HD13 HD12 ' A' ' 121' ' ' LEU . 58.8 mt -98.05 149.54 22.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.693 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.627 ' HB2' ' HB2' ' A' ' 107' ' ' ASN . 64.2 mtt180 -85.64 74.68 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.63 0.729 . . . . 0.0 110.036 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.4 mt -88.99 125.3 34.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.161 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.447 HG13 HG13 ' A' ' 129' ' ' ILE . 32.8 pt -124.09 177.23 4.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.206 -179.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 -96.91 116.66 29.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.25 0.548 . . . . 0.0 109.863 176.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.514 HG21 ' O ' ' A' ' 130' ' ' ASN . 60.8 mt -122.07 134.07 66.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.427 -175.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.847 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 27.4 t-20 -71.9 152.97 42.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 172.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -47.85 -21.4 0.41 Allowed 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -173.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.451 ' HB2' ' HG3' ' A' ' 134' ' ' GLU . 31.8 mttp -95.4 5.29 52.03 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.112 -0.368 . . . . 0.0 111.871 -178.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 86.71 31.43 18.35 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.23 -175.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.847 ' HB2' ' HB3' ' A' ' 130' ' ' ASN . 50.6 mt-10 -96.92 143.79 27.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.614 0.245 . . . . 0.0 110.382 -176.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -77.14 120.45 22.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.449 -174.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.2 t -116.65 116.83 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.51 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 47.2 t -84.51 -73.52 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.741 0.305 . . . . 0.0 111.053 -177.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -172.46 78.77 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.124 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -141.53 29.38 2.26 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.686 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -123.53 -33.97 3.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.973 0.416 . . . . 0.0 110.937 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.301 -178.162 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.654 0.264 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -116.19 -27.25 6.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.364 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.437 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.2 mp0 -63.35 -47.06 83.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.908 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -90.3 125.11 35.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.085 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.73 ' HE2' ' HB3' ' A' ' 7' ' ' ALA . 84.1 tttt -97.05 145.98 25.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.866 0.365 . . . . 0.0 111.245 -170.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.0 mt -83.11 -36.18 12.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.563 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.73 ' HB3' ' HE2' ' A' ' 5' ' ' LYS . . . -72.33 127.48 32.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.436 177.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.58 162.7 28.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.788 -175.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -129.86 135.35 48.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.24 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -57.21 -43.31 82.67 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -84.9 105.52 15.74 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.5 mt -75.84 164.38 26.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.147 -173.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -99.46 3.75 45.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.188 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -134.34 96.46 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.413 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -162.96 133.27 4.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.647 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HB3' ' CD1' ' A' ' 118' ' ' PHE . 9.9 mptt 62.49 24.42 14.53 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.659 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.421 ' HB2' ' OE2' ' A' ' 20' ' ' GLU . 25.2 mtp180 -96.03 160.42 14.46 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.6 t -61.96 -28.42 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.709 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.416 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 7.8 t-160 -60.67 -31.46 70.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.64 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.499 ' HG3' ' CZ ' ' A' ' 97' ' ' PHE . 2.3 mp0 -91.88 -52.31 4.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.627 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 mt -65.84 -26.59 67.73 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -169.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -25.15 65.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 111.051 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.653 HH12 ' HE2' ' A' ' 93' ' ' PHE . 4.5 ptm85 -72.64 -35.74 67.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.189 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.3 t -71.9 -40.63 68.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.81 -45.77 82.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.412 175.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.452 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 90.0 t80 -63.25 -54.03 43.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.649 178.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.542 ' O ' HG22 ' A' ' 31' ' ' VAL . 65.8 mtt -54.68 -42.61 71.61 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -59.99 -55.17 37.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.213 -179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.6 -36.26 83.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.028 -175.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.97 -42.95 98.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.393 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 27' ' ' MET . 80.2 t -66.67 -34.68 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.233 0.539 . . . . 0.0 110.601 178.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.724 HD22 ' HG3' ' A' ' 112' ' ' ARG . 34.9 m-80 -86.96 -9.23 56.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.906 -174.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 33.0 p -107.99 156.38 19.3 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 177.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -67.85 -3.63 10.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.51 -175.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.2 m -54.5 -46.71 73.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.069 177.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -140.75 20.27 2.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.77 0.319 . . . . 0.0 110.894 176.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 33' ' ' SER . 59.7 tttm -60.92 -22.68 64.61 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.062 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.13 -13.56 64.76 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.211 -0.518 . . . . 0.0 112.531 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -94.62 118.15 66.9 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.46 ' O ' HD12 ' A' ' 41' ' ' ILE . 32.2 Cg_exo -58.65 -63.7 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.138 1.892 . . . . 0.0 111.217 178.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.501 HD13 ' HA ' ' A' ' 105' ' ' ALA . 29.6 mm -128.72 145.26 35.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 175.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.8 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 39.0 m-85 -82.38 -168.02 1.82 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.963 0.411 . . . . 0.0 111.144 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.875 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 18.6 t70 -146.67 170.3 17.24 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -179.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.509 ' O ' ' HB ' ' A' ' 47' ' ' THR . 12.6 m170 -61.71 -22.91 65.76 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.581 0.229 . . . . 0.0 111.309 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.29 73.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.846 0.355 . . . . 0.0 110.579 174.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.21 -24.65 60.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.578 ' O ' HG13 ' A' ' 51' ' ' ILE . 97.8 m -57.82 -57.16 14.0 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 169.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.589 HH11 ' HB3' ' A' ' 132' ' ' LYS . 34.6 ttp180 -50.85 -44.71 59.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.044 176.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -57.36 -47.99 80.2 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.228 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.452 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 11.1 m-30 -72.67 -36.56 67.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.655 -178.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.592 HG12 ' NH2' ' A' ' 23' ' ' ARG . 54.1 mt -66.62 -44.03 90.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.055 178.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -43.93 92.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.307 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 p -72.33 -34.74 68.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -65.27 -17.56 64.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.36 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 51' ' ' ILE . 63.5 mt -95.18 -26.14 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.184 0.516 . . . . 0.0 110.378 172.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -84.16 -6.07 59.34 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.157 -171.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.422 ' H ' ' HG3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -46.26 -43.36 15.54 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.899 0.381 . . . . 0.0 111.518 177.189 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.36 -6.36 39.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -175.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.28 -32.66 73.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 170.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.9 m -67.36 -36.77 82.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.113 174.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -66.08 -47.23 74.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.221 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.642 ' HG ' ' HE3' ' A' ' 66' ' ' LYS . 30.3 tp -62.24 -34.72 77.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.509 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.411 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 22.2 t70 -60.82 -39.78 90.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.725 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -66.94 -37.93 85.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.912 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.5 mt -65.26 -36.63 84.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.048 0.451 . . . . 0.0 110.51 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.642 ' HE3' ' HG ' ' A' ' 62' ' ' LEU . 95.5 mttt -65.23 -14.04 59.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.204 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 88.4 mttt -96.21 -0.9 49.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.491 ' HB2' ' HD3' ' A' ' 75' ' ' PRO . 66.8 mttm -76.15 -16.54 59.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.757 0.313 . . . . 0.0 110.843 179.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 66' ' ' LYS . 16.4 ptt85 -71.16 0.54 7.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.078 177.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -76.68 -9.5 58.71 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.325 0.584 . . . . 0.0 109.773 173.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.7 p -106.96 -176.92 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 169.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -81.77 -20.37 39.39 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.98 -176.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -108.05 109.45 61.97 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-O 120.857 0.361 . . . . 0.0 111.819 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -79.1 152.07 24.08 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.053 2.502 . . . . 0.0 111.123 172.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HD3' ' HB2' ' A' ' 68' ' ' LYS . 71.9 Cg_endo -77.27 55.11 4.95 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.779 2.319 . . . . 0.0 112.439 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.2 t -47.94 -46.86 32.63 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.933 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -82.58 -51.57 7.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.893 0.377 . . . . 0.0 111.291 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.23 -27.27 68.55 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -172.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -62.49 -36.93 84.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.222 0.534 . . . . 0.0 110.301 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.2 t -69.99 -37.82 73.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.402 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.0 mt -65.13 -35.37 80.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.637 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.99 -46.65 89.88 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.67 -40.03 93.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.254 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -59.43 -32.95 70.67 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.526 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -63.17 -53.68 49.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.535 177.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -66.92 -33.79 76.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.971 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.23 -48.11 81.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.779 177.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -64.48 -49.97 69.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.856 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.573 ' O ' ' HD1' ' A' ' 93' ' ' PHE . 48.3 mt-10 -61.02 -38.83 87.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.16 -40.57 74.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.461 177.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -69.59 -35.02 74.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.662 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -68.46 -44.36 75.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.654 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.738 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 56.8 m-85 -66.48 -32.99 74.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.029 0.442 . . . . 0.0 110.676 177.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -68.95 -31.23 69.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.989 178.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.59 -3.48 34.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.669 -177.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.15 79.58 1.3 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.55 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.738 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 32.3 t80 -82.42 150.15 27.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 -177.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.7 tp -68.92 97.3 0.83 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.089 0.471 . . . . 0.0 110.138 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.434 ' HB3' HD13 ' A' ' 129' ' ' ILE . 36.2 t -128.53 141.95 43.2 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.056 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -64.71 149.57 89.53 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.329 2.019 . . . . 0.0 111.508 174.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 103' ' ' SER . 23.3 t70 -57.29 -37.15 71.97 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.202 176.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.8 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 13.5 tp 74.44 -28.44 0.19 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.062 173.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.875 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 5.5 p -96.09 -0.51 50.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.912 0.386 . . . . 0.0 111.421 178.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -88.79 122.8 32.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 174.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.501 ' HA ' HD13 ' A' ' 41' ' ' ILE . . . -71.81 -28.04 63.33 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -172.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -78.04 -39.29 42.43 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -60.8 -45.78 93.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.483 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -37.73 80.78 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.858 178.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.45 -51.57 62.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.477 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -64.73 -33.04 75.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.015 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.5 tt -61.6 -40.32 94.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.564 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.724 ' HG3' HD22 ' A' ' 32' ' ' ASN . 61.4 ttt180 -64.47 -34.49 78.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.289 0.566 . . . . 0.0 110.627 176.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -96.86 20.96 10.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.643 -173.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.62 ' HA ' HD13 ' A' ' 120' ' ' LEU . 29.9 t90 -72.55 91.38 1.41 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 174.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -66.49 -58.06 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.488 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.31 55.59 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.146 -1.025 . . . . 0.0 112.958 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.678 ' OG1' ' HB2' ' A' ' 120' ' ' LEU . 43.5 p -120.68 160.18 23.82 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.498 ' HA ' HD21 ' A' ' 121' ' ' LEU . 96.5 m-85 -88.05 -20.77 25.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.132 0.492 . . . . 0.0 109.931 173.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -76.53 -25.09 66.2 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.565 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.678 ' HB2' ' OG1' ' A' ' 117' ' ' THR . 1.7 tt -62.44 -25.67 68.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.338 0.59 . . . . 0.0 109.846 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.616 HD12 HD11 ' A' ' 126' ' ' LEU . 3.4 mm? -66.85 -16.2 64.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.899 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -84.03 -28.89 27.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.041 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 56.4 p -83.3 -20.06 35.11 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.248 0.546 . . . . 0.0 110.273 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.476 HD12 HD11 ' A' ' 121' ' ' LEU . 80.6 mt -79.64 136.2 36.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.667 174.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 52.5 ttt-85 -79.76 74.1 6.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.474 0.654 . . . . 0.0 109.262 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.616 HD11 HD12 ' A' ' 121' ' ' LEU . 86.8 mt -87.81 123.79 32.95 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.815 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.54 HD12 ' HG3' ' A' ' 135' ' ' GLN . 11.8 pt -119.62 -177.35 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.49 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.422 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 44.4 mtt180 -103.94 139.03 39.66 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.434 HD13 ' HB3' ' A' ' 99' ' ' CYS . 44.8 mt -134.1 128.21 52.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.309 -174.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.569 HD22 HG22 ' A' ' 136' ' ' VAL . 8.8 m-80 -89.25 105.52 17.85 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.948 176.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.564 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 35.8 t70 51.99 -83.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 166.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.589 ' HB3' HH11 ' A' ' 48' ' ' ARG . 55.9 mttp -85.78 37.57 0.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -171.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.434 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 68.94 32.72 73.69 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.433 178.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -94.85 118.81 32.39 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -178.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.54 ' HG3' HD12 ' A' ' 127' ' ' ILE . 53.3 tt0 -73.97 141.75 45.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.439 0.638 . . . . 0.0 112.08 -168.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.569 HG22 HD22 ' A' ' 130' ' ' ASN . 8.6 t -119.6 106.2 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.172 175.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 16.1 m -76.31 -41.84 36.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.159 0.504 . . . . 0.0 110.774 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 163.8 -29.34 0.24 Allowed Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.255 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 93.04 4.37 64.9 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.098 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -102.28 106.55 17.37 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.817 -178.1 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.788 ' HB2' ' HB3' ' A' ' 4' ' ' ASP . 73.7 mtm . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.423 ' HB2' ' OE1' ' A' ' 3' ' ' GLU . 24.1 mmt180 -65.51 -65.45 0.67 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.18 0.514 . . . . 0.0 110.272 -176.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.423 ' OE1' ' HB2' ' A' ' 2' ' ' ARG . 4.0 mp0 -80.72 -25.26 38.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.252 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.788 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 27.3 t70 -88.01 92.51 9.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.07 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -108.23 152.46 24.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.584 -177.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.562 ' HA ' ' HD2' ' A' ' 9' ' ' LYS . 59.9 mt -67.96 -24.38 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.976 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.48 97.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.236 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.93 -12.11 61.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.562 ' HD2' ' HA ' ' A' ' 6' ' ' ILE . 95.0 mttt -86.22 -5.33 59.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.3 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.9 mttt 63.61 15.72 9.12 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 164.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -84.57 14.14 4.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.976 0.417 . . . . 0.0 111.045 176.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.7 mt -84.83 -17.01 39.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.085 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -112.14 126.3 55.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.473 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -93.46 122.51 35.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.74 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -87.19 -3.9 59.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.572 -174.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -97.92 126.84 43.51 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -87.24 136.4 32.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.934 0.397 . . . . 0.0 110.606 -177.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.56 -33.53 60.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.709 -176.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.421 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 10.6 m170 -74.49 -7.66 53.76 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.339 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -83.86 -44.31 14.44 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 168.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.98 -42.84 94.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.941 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.7 -30.13 63.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.784 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 19' ' ' HIS . 62.3 mtt85 -66.03 -36.21 82.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.769 0.319 . . . . 0.0 110.395 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.9 t -69.92 -41.81 79.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.107 175.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 59.2 tttm -67.71 -31.8 72.0 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -62.75 -43.23 99.33 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.502 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.7 mtt -61.72 -45.47 93.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.76 174.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -54.6 -56.96 13.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.928 176.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.71 -45.7 85.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.689 -178.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.3 p -68.47 -28.64 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.432 -176.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 27' ' ' MET . 75.9 t -77.96 -36.92 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.204 0.526 . . . . 0.0 110.376 176.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -81.79 -17.5 47.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.937 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.519 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 30.2 t -93.8 155.54 17.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.792 177.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.34 -5.43 7.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.756 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.3 m -56.8 -50.97 70.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.719 0.295 . . . . 0.0 110.841 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -135.7 24.28 3.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.283 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 33' ' ' SER . 37.0 ttpt -70.02 -1.93 11.23 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.047 0.451 . . . . 0.0 111.139 178.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.41 -56.17 16.87 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.498 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -116.56 108.8 44.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 177.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.78 -18.37 41.84 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.864 2.376 . . . . 0.0 112.764 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.46 HD13 ' HA ' ' A' ' 105' ' ' ALA . 17.2 mm -114.51 139.89 38.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.675 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 94.1 m-85 -119.7 -162.47 0.92 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.599 0.238 . . . . 0.0 110.778 -178.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -132.34 -175.84 3.88 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.61 ' O ' ' HB ' ' A' ' 47' ' ' THR . 32.2 m170 -76.93 -20.24 56.41 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -173.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.13 -40.85 62.37 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.002 0.429 . . . . 0.0 109.879 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.466 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 36.5 m80 -66.76 -25.15 66.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.103 174.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.61 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 75.2 m -56.68 -61.88 2.12 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.094 170.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.545 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 36.0 ttp85 -53.1 -47.04 68.91 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.407 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.466 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 27.7 mt-10 -54.33 -51.6 64.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.779 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.31 -35.65 71.34 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 47' ' ' THR . 67.2 mt -59.16 -51.5 71.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.956 0.407 . . . . 0.0 110.06 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -63.02 -38.24 90.38 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.384 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.7 m -57.78 -42.18 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.733 0.301 . . . . 0.0 111.214 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -72.06 -41.79 67.01 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.384 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.49 HG22 HD22 ' A' ' 90' ' ' LEU . 62.5 mt -67.24 -31.3 52.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.161 0.505 . . . . 0.0 110.4 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -65.06 -39.67 93.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.404 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -74.22 -3.15 28.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.557 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -66.11 -24.76 66.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.777 0.799 . . . . 0.0 109.237 174.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.09 -22.32 66.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.069 177.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.9 m -66.34 -38.67 88.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.787 0.327 . . . . 0.0 111.169 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.82 -39.42 64.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.498 0.666 . . . . 0.0 109.451 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.526 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 53.5 tp -62.6 -32.13 73.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.321 176.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.537 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 4.1 t70 -67.59 -27.51 66.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.639 -179.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -71.05 -35.69 72.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.167 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.46 -25.59 61.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.309 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.537 ' CD ' ' HA ' ' A' ' 63' ' ' ASP . 82.4 mttt -64.75 -41.77 95.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.547 176.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 55.8 mttp -71.43 -24.23 61.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.47 -174.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -80.04 8.4 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.113 0.482 . . . . 0.0 111.053 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.784 ' HA ' ' HB3' ' A' ' 74' ' ' PRO . 63.5 ttt180 -82.09 -4.18 56.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.225 177.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -82.16 34.72 0.42 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.673 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.8 p -133.23 179.48 6.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.053 -177.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.507 ' OD1' ' HG2' ' A' ' 73' ' ' ARG . 33.2 p30 -83.94 -7.82 59.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.168 0.509 . . . . 0.0 109.92 178.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.507 ' HG2' ' OD1' ' A' ' 72' ' ' ASN . 31.8 ptt180 -150.07 86.28 5.29 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.504 178.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.784 ' HB3' ' HA ' ' A' ' 69' ' ' ARG . 33.0 Cg_endo -64.27 161.54 33.82 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.492 2.128 . . . . 0.0 111.595 176.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.586 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 32.9 Cg_endo -70.15 57.89 1.69 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.697 2.264 . . . . 0.0 113.02 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.0 p -50.48 -49.54 55.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.917 0.389 . . . . 0.0 110.724 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -60.48 -40.59 91.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.328 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.586 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 43.1 mtt-85 -80.91 -36.25 31.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.218 -172.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.05 -39.95 94.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.439 0.637 . . . . 0.0 109.418 175.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.453 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 70.4 t -72.33 -42.87 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.267 178.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.4 tp -56.99 -37.24 71.37 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.398 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.19 -52.49 65.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.671 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -67.88 -30.72 70.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.906 -178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 86.3 mt-30 -60.27 -50.81 72.17 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.89 -0.141 . . . . 0.0 111.248 178.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.2 ptt85 -71.03 -34.85 71.69 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.516 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -60.59 -42.62 97.08 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.982 0.42 . . . . 0.0 109.996 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.13 -37.93 89.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.354 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -63.57 -48.57 76.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.673 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -63.09 -37.98 89.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.49 HD22 HG22 ' A' ' 55' ' ' ILE . 91.2 mt -68.81 -35.46 77.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.896 175.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -59.71 -49.58 77.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -62.85 -37.24 86.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.624 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.94 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 73.1 t80 -60.69 -47.25 87.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 176.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -69.61 -21.0 63.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -97.83 11.16 38.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.576 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.36 87.78 1.34 Allowed Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.94 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 27.9 t80 -74.51 152.03 39.43 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -176.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.442 ' HG ' ' HB3' ' A' ' 126' ' ' LEU . 23.8 tp -76.38 94.56 3.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.99 0.424 . . . . 0.0 110.137 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.758 ' HB2' HD11 ' A' ' 129' ' ' ILE . 83.4 m -128.12 157.03 75.42 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.663 -178.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -70.57 146.19 54.52 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.445 2.096 . . . . 0.0 111.467 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.25 -36.68 68.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.18 177.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.675 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 18.7 tp 75.41 -16.31 0.59 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.497 0.719 . . . . 0.0 112.537 172.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.1 p -108.15 0.71 21.73 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.127 -0.358 . . . . 0.0 111.531 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.648 ' O ' ' HG2' ' A' ' 108' ' ' MET . 11.9 t70 -96.89 124.31 40.83 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.46 ' HA ' HD13 ' A' ' 41' ' ' ILE . . . -67.72 -33.43 74.88 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -173.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.553 ' HA ' ' HG3' ' A' ' 109' ' ' GLU . 44.0 tttp -75.44 -36.53 60.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.424 0.631 . . . . 0.0 109.969 -178.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -57.84 -38.59 75.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.232 171.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.648 ' HG2' ' O ' ' A' ' 104' ' ' ASP . 90.9 mmm -73.96 -21.03 60.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.12 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.553 ' HG3' ' HA ' ' A' ' 106' ' ' LYS . 40.0 mt-10 -61.27 -54.64 41.45 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 173.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -64.13 -34.87 79.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.267 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.47 -45.54 79.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.765 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.7 ttt85 -71.59 -31.48 66.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.503 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -102.7 21.67 15.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.185 -176.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.472 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 12.9 t90 -72.26 111.33 7.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.25 0.548 . . . . 0.0 110.187 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -96.48 23.4 6.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.107 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 77.52 36.31 34.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.069 -175.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.544 ' HB ' ' HG ' ' A' ' 120' ' ' LEU . 5.2 m -96.24 114.44 26.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.277 -0.462 . . . . 0.0 110.228 -177.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.492 ' HA ' HD22 ' A' ' 121' ' ' LEU . 86.0 m-85 -63.61 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.868 -178.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.23 -18.41 69.25 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.796 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.544 ' HG ' ' HB ' ' A' ' 117' ' ' THR . 50.5 mt -78.73 -9.85 59.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.682 0.277 . . . . 0.0 111.167 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 118' ' ' PHE . 3.9 mm? -78.86 3.6 16.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.942 0.401 . . . . 0.0 110.854 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -119.99 -13.89 8.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.395 174.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 41.4 p -91.24 -32.81 15.62 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.194 177.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.5 mt -59.38 141.26 54.99 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.474 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -79.15 76.81 5.66 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.924 0.869 . . . . 0.0 109.43 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.442 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . 54.9 mt -94.89 111.53 23.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.278 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 24.6 pt -106.46 -173.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.186 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.552 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 25.9 mmm-85 -96.58 111.94 23.88 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 176.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.758 HD11 ' HB2' ' A' ' 99' ' ' CYS . 34.7 mt -110.6 119.87 60.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.32 0.581 . . . . 0.0 111.832 -175.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -100.39 117.56 34.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.604 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 93' ' ' PHE . 2.7 m-20 56.14 -89.7 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 172.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.545 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 50.2 pttt -98.91 33.5 2.32 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -167.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.536 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 86.54 18.72 58.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.015 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -80.89 133.64 35.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.741 0.305 . . . . 0.0 110.461 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -81.42 113.83 19.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.105 0.479 . . . . 0.0 110.85 -177.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 21.4 t -83.93 99.63 6.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.434 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.9 m -82.03 161.4 3.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.013 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.29 -27.47 69.29 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.756 -177.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -76.19 -9.74 85.52 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.304 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 54.51 78.86 0.15 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.477 0.656 . . . . 0.0 111.002 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.458 -0.782 . . . . 0.0 110.455 -177.303 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtm . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.743 0.306 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -107.19 -24.11 12.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.322 175.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -56.81 -41.17 77.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.517 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.26 97.84 8.48 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 170.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -73.2 136.95 44.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.65 -172.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.4 mt -92.94 132.92 35.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.754 176.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.45 -35.24 63.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.944 0.402 . . . . 0.0 110.856 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.54 122.77 22.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.214 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' HB2' HD21 ' A' ' 12' ' ' LEU . 72.8 mmtt -99.21 141.54 31.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.011 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -80.78 -1.52 43.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.281 0.562 . . . . 0.0 110.486 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 11' ' ' LYS . 34.3 mmtm -138.97 92.94 2.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.357 171.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.412 HD21 ' HB2' ' A' ' 9' ' ' LYS . 96.6 mt -84.09 177.52 8.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.61 -178.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -80.11 87.27 5.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.209 0.528 . . . . 0.0 110.374 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -92.76 110.47 21.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.22 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.498 ' OD2' ' HG3' ' A' ' 17' ' ' ARG . 4.9 p-10 -137.9 -148.99 0.29 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.75 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' A' ' 16' ' ' LYS . 40.8 mtmt -56.13 -27.63 54.81 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.415 0.686 . . . . 0.0 112.261 -173.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.498 ' HG3' ' OD2' ' A' ' 15' ' ' ASP . 17.6 mtt180 -51.57 -29.09 15.94 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.616 0.573 . . . . 0.0 112.23 -174.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.495 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 60.1 t -68.84 -30.85 48.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.136 0.493 . . . . 0.0 111.115 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -92.07 3.93 54.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.931 0.396 . . . . 0.0 110.357 176.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -110.5 -70.35 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.773 0.32 . . . . 0.0 111.184 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.43 ' HG ' HD12 ' A' ' 121' ' ' LEU . 7.0 mp -77.26 -33.73 55.86 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -172.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.495 ' HB1' ' O ' ' A' ' 18' ' ' VAL . . . -63.9 -19.27 64.97 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.451 HH22 ' CD ' ' A' ' 89' ' ' GLU . 42.2 mtt-85 -66.84 -41.21 87.76 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.05 0.453 . . . . 0.0 109.804 177.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.9 t -68.24 -36.87 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.835 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -63.95 -43.16 96.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.238 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.436 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 84.1 t80 -59.37 -46.31 89.01 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.455 177.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.543 ' O ' HG21 ' A' ' 31' ' ' VAL . 65.0 mtt -54.82 -52.52 62.45 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 175.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -55.55 -47.07 76.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.24 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.13 -51.63 68.89 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 178.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 26' ' ' PHE . 95.3 t -59.86 -44.76 94.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -178.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.543 HG21 ' O ' ' A' ' 27' ' ' MET . 63.8 t -63.9 -36.95 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.208 0.527 . . . . 0.0 111.146 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -99.18 6.15 46.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.642 -175.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.521 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 47.1 t -110.9 150.54 29.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 175.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -69.65 -3.38 14.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.074 0.464 . . . . 0.0 110.474 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.1 m -47.92 -51.42 23.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.547 173.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -142.52 28.8 1.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.521 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 33' ' ' SER . 49.1 tttm -62.6 -14.26 40.83 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.513 -176.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.73 -23.2 73.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.914 174.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -116.27 100.99 53.91 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -62.8 -30.54 77.92 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.748 2.299 . . . . 0.0 112.727 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 105' ' ' ALA . 59.0 mt -136.67 138.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.865 0.364 . . . . 0.0 110.473 -178.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -105.65 153.17 22.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.498 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.7 -178.55 7.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.099 0.476 . . . . 0.0 111.036 -176.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.706 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 31.5 m170 -71.83 -25.82 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.806 -175.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.83 78.36 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 175.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -71.36 -21.81 61.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.68 175.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.636 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 37.8 m -56.98 -57.96 10.26 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 168.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.517 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 3.3 ttp180 -51.64 -45.59 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.619 175.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -59.47 -50.57 73.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.369 -177.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.436 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 9.3 m-85 -73.15 -37.48 66.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.605 -178.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.06 -46.44 94.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.983 0.42 . . . . 0.0 109.948 176.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -64.44 -39.86 94.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.916 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -66.31 -33.81 76.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.406 ' O ' ' HB3' ' A' ' 57' ' ' ARG . 53.0 t80 -66.32 -38.28 87.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.92 0.391 . . . . 0.0 110.043 177.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.2 mt -70.52 -29.97 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.653 0.739 . . . . 0.0 109.808 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -73.65 -16.02 61.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.547 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 19.1 ttm180 -61.8 -33.8 74.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.35 173.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.58 -22.25 66.79 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.391 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.26 -24.64 67.96 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.455 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.2 m -62.15 -44.4 96.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.076 0.465 . . . . 0.0 110.767 -178.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.506 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 53.6 mt-10 -69.53 -32.27 70.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.214 178.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.2 tp -67.99 -39.44 83.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.712 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.53 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 32.1 t70 -66.95 -36.91 83.27 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 5.4 mm-40 -59.88 -38.9 83.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 174.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.626 ' HB3' ' HG2' ' A' ' 75' ' ' PRO . 95.6 mt -62.63 -44.77 95.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.144 0.497 . . . . 0.0 110.097 175.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.53 ' HD2' ' HA ' ' A' ' 63' ' ' ASP . 53.4 mttm -62.37 -31.37 72.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.009 177.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -80.42 -36.46 33.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.239 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 64' ' ' GLU . 66.0 mttm -69.58 -19.45 63.67 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.485 0.659 . . . . 0.0 110.187 176.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.516 ' HB3' ' O ' ' A' ' 66' ' ' LYS . 22.2 ttp180 -58.48 -32.24 68.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.787 175.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -63.59 -34.62 78.22 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.011 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.417 ' O ' ' HB2' ' A' ' 72' ' ' ASN . 3.1 p -84.32 23.86 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.321 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.444 ' O ' ' HD2' ' A' ' 73' ' ' ARG . 92.4 m-20 75.69 15.64 2.59 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.436 172.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.444 ' HD2' ' O ' ' A' ' 72' ' ' ASN . 7.1 mmm180 -120.91 83.49 37.19 Favored Pre-proline 0 C--N 1.326 -0.448 0 C-N-CA 120.414 -0.515 . . . . 0.0 111.026 177.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.44 115.56 3.44 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.596 2.197 . . . . 0.0 111.152 174.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.626 ' HG2' ' HB3' ' A' ' 65' ' ' LEU . 5.8 Cg_exo -75.29 60.11 5.56 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 123.089 2.526 . . . . 0.0 112.07 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.3 p -46.84 -54.05 10.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.119 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -73.46 -41.76 62.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.051 0.453 . . . . 0.0 111.202 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 78' ' ' ARG . 0.8 OUTLIER -69.39 -27.1 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.656 -172.208 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -70.2 -24.35 63.1 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.98 0.419 . . . . 0.0 109.973 174.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.7 t -71.5 -40.05 71.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.786 176.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.64 -34.86 78.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.229 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.615 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.6 OUTLIER -63.54 -44.77 93.25 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 174.576 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -55.97 -47.47 77.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.768 176.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -56.91 -41.51 78.28 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.316 0.385 . . . . 0.0 111.234 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.615 ' HD3' ' HA ' ' A' ' 82' ' ' LEU . 39.2 mtp180 -53.59 -54.06 42.9 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.622 178.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -70.98 -38.39 72.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.248 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -59.25 -43.88 92.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.912 -176.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -68.25 -41.42 81.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.567 177.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 25.6 mm-40 -50.51 -57.47 8.03 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.243 0.544 . . . . 0.0 111.339 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.38 -39.24 93.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.155 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -70.09 -42.79 72.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.929 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.71 -38.11 86.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.026 -178.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.774 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 38.8 t80 -71.24 -36.62 71.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.98 -179.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.422 ' HA ' ' OD1' ' A' ' 130' ' ' ASN . 22.2 mttp -76.8 -5.48 48.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 111.526 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.62 8.47 35.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.143 0.497 . . . . 0.0 110.196 175.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.41 82.63 1.38 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.66 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.774 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 65.7 t80 -84.83 145.47 27.82 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.414 ' HG ' HD22 ' A' ' 126' ' ' LEU . 28.9 tp -70.03 101.5 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.503 -178.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.725 ' HB2' HD11 ' A' ' 129' ' ' ILE . 34.4 m -128.26 147.03 61.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.088 -178.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -70.15 137.09 33.53 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 121.967 1.778 . . . . 0.0 111.375 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -66.32 102.19 0.83 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.089 0.471 . . . . 0.0 110.958 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.409 HD23 ' SD ' ' A' ' 27' ' ' MET . 80.0 mt -79.87 90.41 5.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.727 175.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.3 t -178.13 -47.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.253 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -69.19 133.82 48.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.637 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.492 ' HA ' HD13 ' A' ' 41' ' ' ILE . . . -74.17 -39.05 63.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.108 -175.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -66.62 -37.53 85.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -63.62 -40.65 97.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.122 176.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.512 ' SD ' HG23 ' A' ' 31' ' ' VAL . 42.7 tpp -67.87 -44.15 77.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.376 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 112' ' ' ARG . 42.3 tt0 -67.51 -35.34 78.93 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.278 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -33.53 72.05 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 176.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.41 HD23 ' SD ' ' A' ' 108' ' ' MET . 5.1 tt -64.47 -32.84 74.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.982 174.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 36.0 ttt180 -66.82 -33.98 76.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.579 174.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -88.83 8.68 27.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.511 ' HA ' HD12 ' A' ' 120' ' ' LEU . 66.0 t90 -71.0 131.77 44.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.102 0.477 . . . . 0.0 111.335 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -112.8 -178.09 3.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.404 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.54 64.66 2.52 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.66 175.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.5 m -135.66 123.02 21.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.598 0.237 . . . . 0.0 110.622 -177.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -64.4 -33.44 75.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.349 -178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.44 -22.52 69.57 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.092 -0.575 . . . . 0.0 113.04 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 114' ' ' TRP . 1.2 tt -74.53 -14.04 60.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.567 0.699 . . . . 0.0 109.905 -178.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.43 HD12 ' HG ' ' A' ' 21' ' ' LEU . 96.7 mt -78.68 -7.57 57.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.332 178.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -98.27 -21.22 16.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.928 176.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 68.6 p -87.4 -29.04 21.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.982 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.5 mt -73.66 155.88 38.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.587 172.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -87.36 81.28 7.92 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.976 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.414 HD22 ' HG ' ' A' ' 98' ' ' LEU . 9.3 mp -94.76 122.9 37.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.147 175.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 22.0 pt -123.21 179.05 2.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.354 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -96.63 113.5 25.07 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.346 0.593 . . . . 0.0 109.858 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.725 HD11 ' HB2' ' A' ' 99' ' ' CYS . 54.4 mt -111.22 135.95 48.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.242 -172.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.422 ' OD1' ' HA ' ' A' ' 94' ' ' LYS . 44.0 t30 -118.36 125.44 50.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.972 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 55.48 -102.28 0.15 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.088 -0.96 . . . . 0.0 113.401 176.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.517 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 25.8 pttm -86.12 40.18 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -167.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.706 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 72.1 29.31 66.91 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.067 -1.063 . . . . 0.0 111.64 -179.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -86.02 125.44 33.42 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -74.49 120.76 20.49 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 23.7 t -82.83 97.28 4.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.748 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.2 m -63.25 130.33 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.114 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.65 -78.4 1.95 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.62 -175.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.36 -1.73 69.72 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 121.31 -0.471 . . . . 0.0 112.488 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -171.92 173.22 4.52 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.211 -0.9 . . . . 0.0 109.36 174.821 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.1 mtp . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 2' ' ' ARG . 35.7 mtm105 -139.53 -26.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.952 0.406 . . . . 0.0 110.84 178.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -94.67 139.64 30.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.709 -173.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -89.55 12.0 17.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.033 -176.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -79.04 95.9 5.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.311 0.577 . . . . 0.0 111.334 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.591 HG12 ' H ' ' A' ' 8' ' ' ALA . 14.5 tt -94.04 143.85 10.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.045 177.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.88 -22.98 25.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.841 0.353 . . . . 0.0 111.241 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.591 ' H ' HG12 ' A' ' 6' ' ' ILE . . . -78.28 146.83 34.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.406 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -88.21 163.55 16.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.472 -177.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -105.86 171.58 7.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.938 0.399 . . . . 0.0 110.944 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -90.2 0.45 57.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.174 -170.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.3 tp -114.73 122.74 47.34 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -102.33 141.2 35.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.797 0.332 . . . . 0.0 110.364 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -129.74 166.41 19.91 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.548 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 57.42 47.73 15.93 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.674 0.609 . . . . 0.0 111.1 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -118.03 113.13 21.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.794 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -98.66 121.62 40.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.309 -0.405 . . . . 0.0 112.006 -174.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.46 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 33.3 m -82.94 -19.08 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.299 0.571 . . . . 0.0 109.796 171.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.403 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . 17.4 t-80 -72.81 -5.33 37.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.039 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.626 ' HB3' HD22 ' A' ' 21' ' ' LEU . 25.9 tt0 -115.8 -71.0 0.76 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.052 -174.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 20' ' ' GLU . 1.9 mm? -89.15 -14.6 35.75 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -170.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 18' ' ' VAL . . . -66.6 -23.41 66.18 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.514 -0.475 . . . . 0.0 111.442 -176.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 23' ' ' ARG . 13.3 mtm180 -68.13 -33.54 74.68 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.883 176.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.0 t -67.63 -40.21 83.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.694 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 55.4 tttm -71.21 -32.21 68.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.388 177.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -63.91 -47.17 81.61 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.407 ' O ' HG21 ' A' ' 31' ' ' VAL . 62.0 mtt -56.74 -49.03 76.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.567 174.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -52.13 -56.37 14.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.735 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -56.32 -53.95 51.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.313 -177.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.609 HG13 ' HB2' ' A' ' 36' ' ' PHE . 94.6 t -69.35 -34.3 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -173.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 27' ' ' MET . 95.9 t -80.56 -28.04 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.012 0.434 . . . . 0.0 110.822 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -84.15 -28.84 27.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.95 0.405 . . . . 0.0 110.383 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.516 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 67.9 p -89.56 157.76 17.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.638 ' HA ' ' HB3' ' A' ' 37' ' ' LYS . 8.3 m-20 -66.9 1.95 1.66 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -174.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.5 m -55.57 -53.7 53.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.719 0.295 . . . . 0.0 110.696 175.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.609 ' HB2' HG13 ' A' ' 30' ' ' VAL . 13.2 m-85 -127.38 9.88 6.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.884 0.374 . . . . 0.0 110.862 175.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.638 ' HB3' ' HA ' ' A' ' 34' ' ' ASP . 60.2 tttm -67.18 -13.83 62.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.542 177.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.06 -18.58 69.11 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.003 -0.618 . . . . 0.0 111.981 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -100.61 131.57 23.53 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -62.54 -68.37 0.04 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.292 1.995 . . . . 0.0 111.668 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.1 mm -125.63 152.24 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.656 ' HB2' ' HB3' ' A' ' 102' ' ' LEU . 72.5 m-85 -103.02 -173.07 2.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.413 0.625 . . . . 0.0 111.907 -172.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -130.31 178.98 6.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.714 -176.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.576 ' O ' ' HB ' ' A' ' 47' ' ' THR . 64.4 m170 -81.77 -10.41 59.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.319 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.94 -40.61 62.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.24 0.543 . . . . 0.0 110.207 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -70.45 -19.85 62.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.953 173.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.576 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 94.9 m -62.05 -64.67 0.86 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.166 172.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.696 ' HD3' ' HB3' ' A' ' 132' ' ' LYS . 31.8 ptt85 -53.98 -40.27 66.75 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.751 0.31 . . . . 0.0 110.961 -178.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -63.12 -55.92 21.18 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.666 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -66.43 -36.72 83.5 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.514 HG12 ' O ' ' A' ' 47' ' ' THR . 43.6 mm -62.08 -51.9 66.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -62.11 -36.91 83.19 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.596 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -57.98 -38.44 76.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.984 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.403 ' CE2' ' HA ' ' A' ' 19' ' ' HIS . 64.5 t80 -75.67 -33.79 60.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.739 0.304 . . . . 0.0 110.285 178.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 51' ' ' ILE . 72.6 mt -60.45 -42.58 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.111 0.481 . . . . 0.0 110.364 177.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.23 -30.13 64.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.4 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -62.25 -33.87 75.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.684 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -67.56 -46.83 71.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.209 177.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 32.7 t70 -69.41 -6.77 32.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.676 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.8 m -73.43 -26.58 61.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.875 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -71.35 -24.72 62.15 Favored 'General case' 0 C--N 1.335 -0.057 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.136 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.515 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 0.6 OUTLIER -56.46 -45.84 80.68 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.043 174.872 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -55.65 -46.32 77.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.194 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 39.4 mt-10 -67.51 -34.89 78.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.122 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.15 -39.11 92.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.986 0.422 . . . . 0.0 110.297 175.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 89.5 mttt -68.56 -30.74 69.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.721 177.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -73.21 -30.94 63.87 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.31 -174.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 64' ' ' GLU . 79.3 mttt -92.63 6.58 46.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.509 -173.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.538 ' HG2' ' HA ' ' A' ' 74' ' ' PRO . 55.9 mtm180 -69.37 -15.11 63.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.166 -179.058 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.3 mtm-85 -56.0 -49.83 72.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.065 0.46 . . . . 0.0 111.387 -176.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.3 m -116.85 -34.4 4.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.585 -176.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 73' ' ' ARG . 10.6 m120 -87.85 -3.85 58.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.166 -173.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 72' ' ' ASN . 92.4 mtt180 69.41 159.16 0.15 Allowed Pre-proline 0 N--CA 1.465 0.293 0 O-C-N 123.893 0.745 . . . . 0.0 111.142 -177.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.538 ' HA ' ' HG2' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -60.74 123.8 13.71 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.125 1.883 . . . . 0.0 110.979 173.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -74.48 80.87 2.18 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.512 2.141 . . . . 0.0 111.534 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.4 m -48.97 -37.42 20.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.816 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -74.37 -62.67 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -73.54 -24.34 60.11 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -170.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -66.6 -51.58 54.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.109 0.481 . . . . 0.0 109.749 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.511 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 65.9 t -64.57 -40.71 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.849 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 57.5 tp -58.71 -43.98 90.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 177.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -51.97 67.5 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -56.82 -42.48 79.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.72 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 27.8 mt-30 -62.38 -29.52 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.74 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 81' ' ' LEU . 34.2 mtm180 -64.94 -42.04 95.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.227 0.537 . . . . 0.0 109.764 177.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.8 ttp85 -73.6 -41.85 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.568 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -44.8 95.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.365 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -63.94 -42.64 97.27 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.707 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -67.26 -37.36 83.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.1 mt -67.77 -25.59 65.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.768 0.318 . . . . 0.0 111.094 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -70.05 -45.7 66.55 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -71.81 -32.65 67.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.287 176.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -53.31 -39.78 64.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.313 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -69.91 -39.73 76.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.656 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -99.35 3.4 45.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -173.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.461 ' HA2' ' HA ' ' A' ' 130' ' ' ASN . . . 106.27 108.83 3.34 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.937 -178.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -97.08 145.08 26.33 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 -176.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.2 tp -69.77 103.82 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.631 ' HB2' HD13 ' A' ' 129' ' ' ILE . 42.6 m -128.15 147.35 63.08 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.204 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.48 138.08 29.12 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 121.975 1.783 . . . . 0.0 111.247 175.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -74.43 104.59 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.031 0.443 . . . . 0.0 110.589 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.656 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 35.4 mt -71.18 -10.98 60.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.778 -177.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 p -93.96 20.79 7.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.918 0.39 . . . . 0.0 111.115 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.562 ' O ' ' HG2' ' A' ' 108' ' ' MET . 25.1 t70 -127.44 115.49 18.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.147 174.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.54 -39.35 83.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.389 -175.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.434 ' O ' ' HD1' ' A' ' 110' ' ' PHE . 73.9 tttt -68.07 -39.56 82.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.341 -177.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -58.9 -41.4 87.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.096 0.474 . . . . 0.0 110.129 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.562 ' HG2' ' O ' ' A' ' 104' ' ' ASP . 90.4 mmm -66.46 -35.16 79.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.831 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -59.05 -49.59 77.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.763 176.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.434 ' HD1' ' O ' ' A' ' 106' ' ' LYS . 35.8 m-85 -62.91 -42.95 99.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.462 177.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.8 -40.38 95.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.029 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -76.43 -9.02 58.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.759 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -121.44 19.37 11.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.892 0.377 . . . . 0.0 110.666 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.694 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 15.8 t90 -66.46 117.8 9.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.197 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -90.06 8.31 33.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.266 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 90.28 11.32 62.94 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.468 -176.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 13.3 m -79.44 127.12 31.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.364 -0.418 . . . . 0.0 110.924 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -74.82 -26.24 59.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.91 0.386 . . . . 0.0 110.654 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -68.17 -29.82 73.49 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.837 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.555 HD21 ' O ' ' A' ' 120' ' ' LEU . 4.2 tt -65.29 -18.69 65.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.094 0.473 . . . . 0.0 110.252 -178.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' A' ' 124' ' ' LEU . 83.9 mt -64.79 -25.28 67.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.876 0.37 . . . . 0.0 110.49 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -78.68 -12.99 60.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.199 0.523 . . . . 0.0 110.458 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 69.8 p -104.36 9.06 35.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.361 0.601 . . . . 0.0 110.164 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 121' ' ' LEU . 68.8 mt -104.86 151.83 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.064 177.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -88.89 74.36 8.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.44 0.638 . . . . 0.0 109.742 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.9 mt -86.67 105.89 17.23 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.762 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 40.6 pt -108.86 178.26 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.601 -176.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.64 ' HG2' HG21 ' A' ' 136' ' ' VAL . 40.4 ttt180 -101.01 111.74 24.02 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.631 HD13 ' HB2' ' A' ' 99' ' ' CYS . 54.6 mt -104.42 122.62 57.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.031 0.444 . . . . 0.0 110.804 -177.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.461 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . 59.7 t30 -82.62 132.19 35.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.357 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.2 t70 51.38 -91.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 O-C-N 124.443 1.089 . . . . 0.0 112.259 171.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.696 ' HB3' ' HD3' ' A' ' 48' ' ' ARG . 99.4 mttt -132.42 83.24 2.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.114 0.483 . . . . 0.0 111.051 -174.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 70.19 37.16 71.88 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.989 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -114.23 157.25 22.95 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.675 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -94.7 122.6 37.47 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.848 -174.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.64 HG21 ' HG2' ' A' ' 128' ' ' ARG . 91.8 t -85.56 111.03 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.033 0.444 . . . . 0.0 110.368 176.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.4 m -96.7 171.03 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.906 176.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -76.88 43.17 1.9 Allowed Glycine 0 CA--C 1.518 0.271 0 C-N-CA 121.247 -0.502 . . . . 0.0 112.89 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -174.87 37.45 0.11 Allowed Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -134.48 106.4 7.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.07 179.233 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mmm . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 2' ' ' ARG . 19.5 ttt180 -68.0 -42.05 81.32 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 172.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -83.76 111.7 19.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.434 167.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.2 t0 67.27 108.71 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.785 0.678 . . . . 0.0 110.847 -176.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.9 mttp -72.87 -35.87 67.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.766 -174.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.4 mt -86.48 51.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.932 0.873 . . . . 0.0 110.644 -173.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -161.45 93.83 0.95 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.349 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.12 153.74 51.23 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.7 -177.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -108.09 5.33 25.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.322 0.582 . . . . 0.0 110.181 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -124.03 -176.83 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.751 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -86.18 151.5 23.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.642 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -83.59 148.45 27.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.09 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -78.66 -13.69 59.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.083 0.468 . . . . 0.0 110.408 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -109.39 106.8 16.73 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.456 ' OD2' ' HB3' ' A' ' 17' ' ' ARG . 8.7 t0 -69.63 139.92 53.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.588 -175.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -83.14 -18.21 40.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.173 -178.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 55.6 ttp180 -72.15 -21.8 61.4 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.341 0.591 . . . . 0.0 109.691 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.4 t -63.99 -20.44 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.762 176.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -49.89 -34.25 19.67 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.771 0.428 . . . . 0.0 111.681 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -80.59 -45.2 17.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.37 -177.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 mp -71.67 -31.86 67.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.899 0.381 . . . . 0.0 110.03 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.12 -25.26 67.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 176.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.2 ttm-85 -65.87 -43.26 88.88 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.415 ' O ' ' HB2' ' A' ' 27' ' ' MET . 96.9 t -69.17 -37.05 75.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.224 174.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -62.15 -41.25 98.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.755 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.463 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 60.2 t80 -62.55 -41.67 99.05 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.568 ' O ' HG21 ' A' ' 31' ' ' VAL . 59.0 mtt -53.19 -48.67 67.86 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 172.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -56.31 -54.36 46.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.064 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -54.36 -44.74 72.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.874 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 26' ' ' PHE . 69.5 t -59.88 -49.01 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.064 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.652 HG23 ' HG2' ' A' ' 112' ' ' ARG . 20.2 m -90.83 2.75 7.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -173.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -110.15 -23.9 11.01 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.781 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.479 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 79.6 p -93.1 171.96 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 176.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.568 ' HA ' ' HB2' ' A' ' 37' ' ' LYS . 24.6 t70 -76.29 -1.7 27.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.859 0.361 . . . . 0.0 110.8 -177.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.7 m -55.03 -49.52 71.36 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.288 175.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -135.84 26.13 3.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 175.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.568 ' HB2' ' HA ' ' A' ' 34' ' ' ASP . 60.3 tttp -53.92 -30.48 46.5 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.263 176.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.17 -31.51 79.44 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.668 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -116.91 93.04 40.63 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 176.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -76.65 -22.41 12.05 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.432 2.088 . . . . 0.0 113.013 -176.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.465 HD13 ' HA ' ' A' ' 105' ' ' ALA . 27.6 mm -118.97 133.62 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -177.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.525 ' HB3' ' HB2' ' A' ' 46' ' ' HIS . 16.0 m-85 -110.67 152.32 26.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.097 0.475 . . . . 0.0 111.344 -178.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -86.51 165.56 16.16 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 171.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.653 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 65.3 m170 -57.91 -18.17 21.35 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.825 0.345 . . . . 0.0 111.309 178.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.26 -37.82 78.56 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 174.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 83.9 m-70 -78.59 -17.62 55.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.433 178.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.473 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 91.8 m -62.67 -61.88 2.12 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.472 ' HB3' ' HA ' ' A' ' 132' ' ' LYS . 21.6 ptt85 -61.24 -29.81 70.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.243 0.544 . . . . 0.0 109.936 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.98 -63.03 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.011 177.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.463 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 44.1 m-85 -74.72 -40.79 61.09 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -175.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.2 mm -63.44 -50.42 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.028 -177.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.537 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 59.5 tp60 -63.19 -47.02 84.34 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.906 -178.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.45 ' HA ' ' HB2' ' A' ' 56' ' ' GLU . 66.9 m -69.58 -25.29 63.9 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.722 0.296 . . . . 0.0 111.751 -177.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.526 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 50.4 t80 -64.34 -36.81 85.33 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 173.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.425 HG12 ' OE1' ' A' ' 89' ' ' GLU . 63.9 mt -71.73 -43.43 70.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.826 174.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 52' ' ' GLN . 45.5 mt-10 -59.6 -16.39 25.41 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.23 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.526 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 34.4 mtt85 -61.99 -12.05 16.64 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 111.485 174.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -65.86 -26.39 67.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.452 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -31.57 72.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.986 0.422 . . . . 0.0 110.343 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.9 m -75.68 -35.26 60.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.457 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -74.54 -35.47 63.12 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.92 -48.21 79.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.613 174.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.45 -33.67 72.89 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.796 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.591 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 3.4 mm-40 -59.5 -48.73 80.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.629 174.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.46 -24.2 66.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.443 0.64 . . . . 0.0 110.748 178.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -92.28 -10.63 37.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.672 -176.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -99.26 -24.82 14.71 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.38 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 64' ' ' GLU . 57.6 mttm -84.25 39.65 0.73 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.175 0.512 . . . . 0.0 110.584 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.745 ' HG2' ' HG3' ' A' ' 74' ' ' PRO . 29.7 mtm-85 -60.53 -27.04 67.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.346 177.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 59.54 -144.63 0.54 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.725 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.7 m -106.61 15.87 25.24 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.027 0.441 . . . . 0.0 110.224 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -113.35 -91.9 0.49 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.6 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 59.7 mtt85 -160.18 153.44 18.5 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.745 ' HG3' ' HG2' ' A' ' 69' ' ' ARG . 27.7 Cg_exo -62.3 147.34 95.12 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.269 1.979 . . . . 0.0 111.478 175.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.99 96.95 0.12 Allowed 'Trans proline' 0 CA--C 1.527 0.148 0 C-N-CA 122.918 2.412 . . . . 0.0 112.292 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.7 m -65.62 -29.36 69.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.897 0.379 . . . . 0.0 111.269 -176.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -79.06 -53.47 6.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.984 0.421 . . . . 0.0 110.55 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -70.57 -39.14 74.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.351 -173.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -62.0 -42.19 98.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.066 0.46 . . . . 0.0 110.855 -175.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.8 t -74.09 -32.48 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.504 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.09 -34.27 75.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.424 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.01 -45.81 91.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.626 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -58.81 -40.88 85.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.69 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -66.76 -20.72 66.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -178.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 24.8 mmt180 -77.8 -34.35 52.19 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 174.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -63.96 -42.68 97.2 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 171.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.45 -45.15 65.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.07 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -62.07 -50.32 72.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.194 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.425 ' OE1' HG12 ' A' ' 55' ' ' ILE . 10.6 mm-40 -53.12 -52.58 58.23 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.946 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 90' ' ' LEU . 4.1 mm? -67.1 -36.86 82.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.71 -177.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -61.53 -49.61 76.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.975 0.417 . . . . 0.0 110.527 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -72.56 -30.36 64.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.619 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.751 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 17.7 t80 -64.26 -40.05 95.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.719 178.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -88.1 0.37 56.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.434 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.12 10.88 33.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.174 0.512 . . . . 0.0 110.147 176.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.59 85.29 1.6 Allowed Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.751 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 22.5 t80 -82.88 142.69 31.28 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -177.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.0 tp -78.21 101.54 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.957 0.408 . . . . 0.0 110.715 -177.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.636 ' HB2' HD11 ' A' ' 129' ' ' ILE . 80.5 m -128.59 157.61 74.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.22 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -81.02 147.17 16.5 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.427 2.085 . . . . 0.0 111.283 174.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -77.72 102.57 7.18 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 42' ' ' PHE . 80.5 mt -64.19 -18.48 64.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.295 -174.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.4 p -88.18 5.09 43.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.739 0.304 . . . . 0.0 111.754 -175.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.411 ' O ' ' HG2' ' A' ' 108' ' ' MET . 15.9 t70 -102.2 106.64 17.51 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 173.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.465 ' HA ' HD13 ' A' ' 41' ' ' ILE . . . -64.75 -25.64 68.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.87 -173.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -73.32 -50.0 24.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.344 0.593 . . . . 0.0 109.78 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.432 HD21 ' HA ' ' A' ' 107' ' ' ASN . 4.4 m120 -67.78 -30.09 69.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.919 176.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.514 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 93.0 mmm -66.37 -28.12 68.4 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.8 174.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -68.3 -37.15 80.33 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.34 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -62.99 -38.83 92.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.031 0.443 . . . . 0.0 110.14 171.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.0 tt -71.56 -42.98 67.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.09 -177.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.652 ' HG2' HG23 ' A' ' 31' ' ' VAL . 52.5 mtp180 -68.32 -25.83 65.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.071 0.463 . . . . 0.0 110.814 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -108.59 21.18 17.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.781 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 44.0 t90 -66.39 157.3 32.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.549 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -147.17 174.66 11.38 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -71.81 63.23 1.23 Allowed Glycine 0 CA--C 1.519 0.343 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.741 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.3 m -133.66 118.18 17.87 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -63.67 -28.98 70.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.93 0.395 . . . . 0.0 110.538 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.12 -20.72 63.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.884 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.405 HD21 ' HA ' ' A' ' 120' ' ' LEU . 48.2 mt -73.69 -11.71 60.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 111.131 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.4 -6.74 59.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.271 0.558 . . . . 0.0 109.549 175.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -96.99 -23.1 16.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.667 174.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 45.4 p -85.33 -18.9 32.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.221 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 58.9 mt -89.73 125.55 35.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.517 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.404 ' HB3' ' OD1' ' A' ' 107' ' ' ASN . 21.0 ttt85 -75.95 82.13 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.695 0.759 . . . . 0.0 109.047 174.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.7 mt -85.49 133.7 34.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.299 -177.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.407 HD12 ' OE1' ' A' ' 135' ' ' GLN . 23.9 pt -122.86 173.61 8.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.447 -175.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 29.9 mtt180 -96.76 125.19 41.04 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.096 0.474 . . . . 0.0 110.277 175.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.636 HD11 ' HB2' ' A' ' 99' ' ' CYS . 54.9 mt -119.45 136.83 55.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.804 -177.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -109.2 122.45 47.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.517 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 42.4 m-20 49.2 -93.42 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 171.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.472 ' HA ' ' HB3' ' A' ' 48' ' ' ARG . 76.2 mttt -87.61 25.46 1.47 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.778 -167.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.653 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 84.86 28.26 32.21 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.3 -0.952 . . . . 0.0 111.476 -177.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -80.92 140.28 35.39 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.407 ' OE1' HD12 ' A' ' 127' ' ' ILE . 57.1 tp60 -78.89 114.56 17.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.389 -174.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.6 t -102.08 100.14 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 173.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 19.1 m -78.12 129.36 37.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.278 -176.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.36 -71.83 2.86 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.914 178.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 94.88 10.83 57.28 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.684 -176.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -110.8 143.38 41.45 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 178.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 C--O 1.245 0.858 0 CA-C-O 118.648 -0.692 . . . . 0.0 109.74 178.793 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.847 0.356 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -80.07 -21.84 42.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.021 0.439 . . . . 0.0 110.394 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -71.17 -10.14 59.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.593 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -80.67 2.84 24.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.195 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.6 tttm 60.09 42.8 15.13 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 122.111 0.958 . . . . 0.0 109.27 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.1 tt -68.8 -29.08 42.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.665 -176.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.99 81.61 5.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.885 0.374 . . . . 0.0 111.315 -176.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.42 1.25 0.52 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.362 176.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -93.07 16.82 11.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.386 . . . . 0.0 111.323 -176.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -145.82 -178.27 6.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.404 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -70.29 -51.41 30.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.321 -175.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.0 tp 66.8 15.45 10.14 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.622 0.725 . . . . 0.0 109.88 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -126.71 -39.32 1.99 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.747 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -69.97 -38.77 76.18 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 169.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.55 -45.74 89.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.468 -1.242 . . . . 0.0 109.851 175.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -80.55 37.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.616 -176.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.576 ' HG3' ' H ' ' A' ' 18' ' ' VAL . 11.8 tpt180 -141.03 175.33 9.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.567 -177.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.576 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 29.2 t -57.98 -24.86 24.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -57.63 -26.98 62.37 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -92.05 -54.98 3.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.202 0.525 . . . . 0.0 110.292 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.84 -34.38 78.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.573 -172.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.485 ' HB3' HG13 ' A' ' 18' ' ' VAL . . . -65.52 -31.17 72.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.351 . . . . 0.0 111.442 -176.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -70.38 -33.83 71.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.027 0.442 . . . . 0.0 109.982 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.1 t -68.54 -39.31 80.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.262 176.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -70.78 -34.74 72.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.133 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -60.83 -45.65 93.63 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 120.614 -0.434 . . . . 0.0 109.847 175.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.614 ' O ' HG22 ' A' ' 31' ' ' VAL . 67.5 mtt -54.56 -53.91 48.32 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.773 175.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.412 ' HG3' ' HA ' ' A' ' 112' ' ' ARG . 33.4 tt0 -50.49 -54.58 21.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.614 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.0 -43.16 81.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.026 -176.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.666 HG13 ' HB2' ' A' ' 36' ' ' PHE . 59.8 t -78.02 -37.7 23.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.985 -176.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 27' ' ' MET . 98.2 t -65.2 -39.06 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 121.1 0.476 . . . . 0.0 110.058 177.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.45 -18.18 52.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.43 178.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 28.9 t -83.04 153.27 25.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.205 177.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.94 -16.26 63.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.05 0.453 . . . . 0.0 109.877 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.6 m -48.59 -44.99 37.4 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.653 177.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.666 ' HB2' HG13 ' A' ' 30' ' ' VAL . 8.0 m-85 -137.92 15.17 2.87 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.062 0.394 . . . . 0.0 112.062 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 33' ' ' SER . 29.0 ttpt -64.74 -17.35 64.06 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.157 0.503 . . . . 0.0 109.96 175.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.25 -30.15 63.94 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.957 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -95.71 127.57 40.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 176.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.5 -59.29 0.9 Allowed 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.37 2.046 . . . . 0.0 111.079 176.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mm -129.56 153.94 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.008 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.61 ' CE1' HG23 ' A' ' 31' ' ' VAL . 14.1 m-85 -87.0 -165.03 1.18 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.948 0.404 . . . . 0.0 111.772 -174.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -130.9 163.97 26.3 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -176.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.631 ' O ' ' HB ' ' A' ' 47' ' ' THR . 32.6 m170 -71.78 -29.67 64.72 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 174.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.17 -32.77 74.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.385 0.612 . . . . 0.0 109.818 173.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -78.53 -15.28 58.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.329 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.631 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 37.0 m -64.81 -55.62 18.51 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 170.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.504 ' HD3' ' HA ' ' A' ' 132' ' ' LYS . 51.7 ttp180 -54.34 -40.66 68.25 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 121.026 0.441 . . . . 0.0 110.086 177.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -65.49 -44.64 86.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.147 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.34 -37.4 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.982 0.42 . . . . 0.0 111.347 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.511 ' O ' HG13 ' A' ' 55' ' ' ILE . 22.6 mm -66.9 -43.44 89.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.287 176.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -64.36 -37.84 88.92 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.552 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 p -68.08 -36.23 79.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.054 0.454 . . . . 0.0 110.726 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -68.28 -25.66 65.26 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 51' ' ' ILE . 68.7 mt -83.71 -16.62 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.872 0.844 . . . . 0.0 109.744 174.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -76.14 -21.28 56.77 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 173.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -53.51 -54.3 39.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.449 174.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -66.41 -28.68 68.81 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.787 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.1 -28.82 68.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.34 0.59 . . . . 0.0 109.914 173.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 23.6 m -81.78 -27.05 33.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.226 177.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -74.08 -35.52 64.24 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 172.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.624 HD12 HD13 ' A' ' 65' ' ' LEU . 55.7 tp -70.05 -22.42 63.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.127 174.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 60' ' ' THR . 28.6 t70 -64.12 -27.11 68.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.792 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.482 ' HB3' ' HE3' ' A' ' 68' ' ' LYS . 31.7 mt-10 -62.98 -44.03 97.17 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.584 175.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.624 HD13 HD12 ' A' ' 62' ' ' LEU . 91.2 mt -64.43 -34.15 77.51 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.401 ' HE2' ' HG ' ' A' ' 62' ' ' LEU . 64.5 mttm -74.1 -23.79 59.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.073 177.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -86.22 -37.38 18.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.115 0.483 . . . . 0.0 110.769 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 72' ' ' ASN . 82.1 mttt -83.87 18.16 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.156 -178.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.421 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 46.1 ttt180 -72.82 31.23 0.06 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.997 -173.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.436 ' H ' ' C ' ' A' ' 68' ' ' LYS . 82.6 mtt180 -115.3 -70.41 0.8 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.079 0.466 . . . . 0.0 110.649 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.7 t -113.13 -9.84 13.48 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.147 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.639 ' HB3' ' HB3' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -123.59 49.93 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.656 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.0 ptt-85 -51.57 147.35 11.22 Favored Pre-proline 0 C--O 1.236 0.376 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.356 -173.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.491 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 50.8 Cg_exo -51.48 111.89 0.69 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.271 2.647 . . . . 0.0 112.965 -175.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -68.87 134.42 29.87 Favored 'Trans proline' 0 CA--C 1.511 -0.634 0 C-N-CA 122.731 2.288 . . . . 0.0 111.032 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.2 m -62.31 -36.58 82.59 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 173.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -61.15 -30.95 70.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.615 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -98.58 -49.14 4.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.094 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.456 ' HG3' HD13 ' A' ' 62' ' ' LEU . 48.0 tt0 -57.37 -44.55 84.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.815 0.341 . . . . 0.0 111.018 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.507 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 92.5 t -72.44 -41.31 64.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.403 -177.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.72 -41.65 97.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.402 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.6 -45.43 86.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.254 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -61.79 -34.24 75.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.297 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 82.8 mt-30 -56.63 -35.88 68.84 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.552 0.215 . . . . 0.0 111.065 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -69.41 -38.77 78.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.926 0.394 . . . . 0.0 110.261 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.402 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 55.9 ttt85 -63.99 -51.56 63.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.576 177.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.74 -37.38 87.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.208 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -61.69 -47.24 86.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.97 0.414 . . . . 0.0 110.406 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -61.27 -48.16 82.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.011 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 94.7 mt -60.62 -36.59 78.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.24 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -66.27 -31.92 73.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.538 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -73.44 -44.13 58.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -65.08 -28.13 69.25 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.021 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -70.07 -16.88 63.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.612 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -115.4 9.45 15.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 110.367 177.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.54 122.77 2.85 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.148 -177.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -115.35 155.5 27.23 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.2 tp -73.74 106.5 5.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.081 0.467 . . . . 0.0 109.935 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.474 ' HB3' HD12 ' A' ' 129' ' ' ILE . 52.8 t -128.21 142.16 43.66 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.882 -177.235 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.488 ' HG2' ' SD ' ' A' ' 27' ' ' MET . 29.3 Cg_endo -65.87 134.35 37.1 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 121.927 1.751 . . . . 0.0 111.122 175.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.19 130.66 42.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.945 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.557 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 50.6 mt -104.09 23.82 12.39 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.491 -176.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.6 p -113.19 -33.55 5.95 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.457 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -79.19 125.93 30.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.944 0.402 . . . . 0.0 110.176 176.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.01 -24.78 58.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.741 -173.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -74.59 -45.83 42.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -56.17 -45.3 79.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.121 174.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.455 ' HE1' HD21 ' A' ' 102' ' ' LEU . 14.9 mtp -69.21 -30.59 68.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.44 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -70.5 -41.08 73.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.752 0.31 . . . . 0.0 110.347 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -64.27 -38.35 90.75 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.68 -39.37 88.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.422 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.412 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 14.6 mtp85 -70.05 -19.38 63.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.891 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -118.49 19.16 13.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.237 0.541 . . . . 0.0 110.535 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -72.92 142.73 47.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.122 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -134.85 -179.32 5.53 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -70.78 77.21 0.52 Allowed Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.993 -0.623 . . . . 0.0 113.071 -175.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 84.1 m -152.65 125.95 8.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.698 0.285 . . . . 0.0 110.452 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -72.48 -23.43 61.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.721 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -61.94 -34.14 87.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.248 176.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.445 HD22 ' O ' ' A' ' 120' ' ' LEU . 2.0 tt -66.42 -21.15 66.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.589 0.709 . . . . 0.0 109.905 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.468 HD23 HD13 ' A' ' 124' ' ' LEU . 87.1 mt -76.57 0.17 21.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.517 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -93.04 -27.68 16.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.143 172.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 43.7 p -82.14 -31.11 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.468 HD13 HD23 ' A' ' 121' ' ' LEU . 51.1 mt -73.81 111.43 8.96 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.161 172.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 63.7 mtt85 -78.33 73.6 4.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.831 0.824 . . . . 0.0 109.926 176.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 31.3 mt -76.6 127.39 32.72 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.572 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.529 HD11 ' HG3' ' A' ' 135' ' ' GLN . 24.3 pt -106.52 176.12 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.208 -175.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -96.63 111.22 23.45 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 99' ' ' CYS . 38.1 mt -110.77 128.07 67.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.1 -174.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -91.2 120.47 32.15 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.407 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 9.8 p-10 26.62 -73.74 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.504 ' HA ' ' HD3' ' A' ' 48' ' ' ARG . 49.1 mttt -67.49 -15.74 63.83 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -171.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.449 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 110.16 18.14 8.95 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -171.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -83.07 119.29 24.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.865 -0.668 . . . . 0.0 110.178 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.529 ' HG3' HD11 ' A' ' 127' ' ' ILE . 49.6 tt0 -69.34 117.27 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.154 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 31.8 t -82.71 97.68 4.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.192 -177.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 23.1 m -121.36 147.66 25.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.979 177.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.34 -21.83 4.92 Favored Glycine 0 C--O 1.228 -0.255 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.521 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -108.36 43.72 1.64 Allowed Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 -176.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -83.06 8.6 12.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.896 0.379 . . . . 0.0 110.068 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 . . . . . 0 C--O 1.247 0.925 0 CA-C-N 115.122 -0.944 . . . . 0.0 109.707 -179.109 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.8 mtt . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -68.76 -34.86 76.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.987 0.422 . . . . 0.0 109.914 174.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.33 149.44 31.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.835 177.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -85.45 -68.54 0.72 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.398 -175.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -81.92 155.82 25.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.738 -176.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.4 tt -135.98 138.68 47.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.909 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.55 168.69 18.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.954 0.407 . . . . 0.0 111.011 -177.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.38 144.92 25.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.1 mttp -83.78 111.17 18.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.139 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -78.97 168.17 20.07 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.153 -176.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -86.6 -21.97 26.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.181 0.515 . . . . 0.0 109.801 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.5 mt -76.56 114.06 14.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.905 176.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -116.82 150.59 38.1 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.392 -179.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -72.12 -5.9 38.73 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.641 -176.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.45 -41.82 86.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.222 0.534 . . . . 0.0 110.575 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.522 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 46.2 mttm -72.01 -21.77 61.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.683 -178.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 -57.58 -40.29 78.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.072 0.463 . . . . 0.0 110.382 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.3 t -72.34 -41.92 65.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.092 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -23.21 66.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 179.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 49.2 mt-10 -80.6 -64.13 1.26 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.062 0.458 . . . . 0.0 110.736 174.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.1 -35.12 79.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.438 -171.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.11 -31.12 69.74 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -71.24 -40.95 70.74 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.258 0.551 . . . . 0.0 109.833 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.4 t -68.12 -36.23 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.986 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -62.13 -40.24 95.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.728 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.518 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 75.6 t80 -59.73 -43.39 94.23 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 178.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.474 ' O ' HG23 ' A' ' 31' ' ' VAL . 57.2 mtt -54.39 -50.6 67.16 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.315 174.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -54.77 -53.0 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.013 176.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -56.49 -42.29 78.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.13 -177.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 26' ' ' PHE . 79.7 t -62.44 -41.59 92.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.56 -179.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 27' ' ' MET . 47.8 t -71.39 -35.87 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.068 0.461 . . . . 0.0 111.039 -178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -81.95 -23.17 36.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.375 -176.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 48.1 t -90.49 149.78 22.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.391 -177.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.56 -4.37 11.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.344 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.2 m -57.31 -45.83 83.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.773 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.489 ' HB3' ' HZ ' ' A' ' 42' ' ' PHE . 26.8 m-85 -136.14 17.45 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.208 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 33' ' ' SER . 32.9 ttpt -56.78 -28.89 62.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.852 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.01 -19.2 63.28 Favored Glycine 0 C--N 1.333 0.368 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.778 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -113.65 96.19 39.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -61.83 -31.92 85.41 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.849 2.366 . . . . 0.0 113.032 -174.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.432 HD11 ' HA ' ' A' ' 105' ' ' ALA . 31.1 mm -119.9 147.26 23.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.787 0.327 . . . . 0.0 110.221 -179.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.59 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 64.5 m-85 -115.2 -156.82 0.62 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.787 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 11.6 t70 -157.05 174.78 14.99 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -178.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.442 ' O ' ' HB ' ' A' ' 47' ' ' THR . 15.7 m-70 -63.42 -22.69 67.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.006 0.431 . . . . 0.0 110.365 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.1 83.31 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.477 173.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.546 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 88.1 m-70 -82.9 -17.4 43.85 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.442 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 98.5 m -61.26 -61.8 2.3 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.86 172.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.458 ' HB3' ' C ' ' A' ' 132' ' ' LYS . 49.1 ptt85 -56.73 -42.88 80.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.147 179.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.546 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 29.2 mt-10 -49.91 -61.2 2.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.531 176.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.518 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 14.0 m-85 -74.3 -38.54 63.34 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -174.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.494 ' O ' HG13 ' A' ' 55' ' ' ILE . 34.9 mm -64.49 -46.33 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.939 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 85.2 mm-40 -63.43 -38.0 89.44 Favored 'General case' 0 N--CA 1.461 0.077 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 178.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.4 m -63.84 -37.48 87.55 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 110.661 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 22.4 t80 -67.1 -32.75 74.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 51' ' ' ILE . 68.9 mt -68.1 -29.09 43.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.261 0.553 . . . . 0.0 110.017 175.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 51.9 mt-10 -71.12 -24.59 62.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.434 175.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 54' ' ' PHE . 94.8 mtt180 -66.63 -27.91 68.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.227 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -68.97 -26.19 64.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.327 0.584 . . . . 0.0 109.857 174.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 13.7 t70 -73.38 -22.89 60.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.442 177.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.4 m -63.08 -36.52 83.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.097 0.475 . . . . 0.0 110.226 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -79.39 -21.43 45.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.332 0.586 . . . . 0.0 110.019 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' A' ' 82' ' ' LEU . 49.9 tp -71.26 -37.71 71.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.402 174.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 27.1 t70 -73.54 -22.67 60.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.234 176.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -66.73 -30.41 70.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.61 173.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 82' ' ' LEU . 99.9 mt -69.53 -34.16 73.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.692 173.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 63' ' ' ASP . 68.4 mttm -66.15 -37.44 85.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.621 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -78.23 -2.3 37.09 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.852 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -62.45 -45.84 91.25 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -112.93 -176.56 2.93 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -67.14 164.17 18.61 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.4 m -75.09 53.69 0.63 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.478 0.656 . . . . 0.0 110.574 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -126.54 -60.65 1.24 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.116 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.3 mtm-85 -133.74 97.33 15.69 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.625 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -75.19 161.09 38.75 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 123.047 2.498 . . . . 0.0 111.334 175.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.468 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 38.6 Cg_exo -61.42 106.95 0.44 Allowed 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.778 2.319 . . . . 0.0 112.127 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 80' ' ' VAL . 1.6 m -59.07 -52.88 63.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.013 0.435 . . . . 0.0 110.878 -178.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -71.37 -46.48 60.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.307 -174.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 79.5 mtt-85 -65.14 -37.83 88.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.308 -174.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.404 ' HA ' HD13 ' A' ' 65' ' ' LEU . 28.3 tt0 -67.14 -38.27 85.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.054 0.454 . . . . 0.0 110.347 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 76' ' ' SER . 92.0 t -70.58 -34.21 56.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.427 177.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.2 tp -59.94 -43.27 95.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.818 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.472 ' HB3' HD11 ' A' ' 62' ' ' LEU . 2.0 tm? -60.64 -47.01 88.13 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 175.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -54.39 -47.66 72.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.532 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -64.17 -38.82 92.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.716 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -66.66 -47.55 72.17 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.38 0.61 . . . . 0.0 110.325 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -60.7 -40.84 93.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.125 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.98 -36.83 84.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.232 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -60.65 -48.46 81.68 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.573 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -71.37 -31.26 67.12 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.481 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.06 -44.17 96.55 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -60.85 -44.02 97.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.127 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.05 -39.41 93.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.66 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.723 ' CE2' ' HA ' ' A' ' 131' ' ' ASP . 31.7 t80 -61.7 -38.56 88.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.172 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -78.04 3.05 15.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.045 0.45 . . . . 0.0 111.404 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.07 -2.51 34.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.083 0.468 . . . . 0.0 110.291 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.19 82.71 1.29 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.787 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.537 ' HD2' ' HG ' ' A' ' 99' ' ' CYS . 34.2 t80 -80.46 155.45 27.06 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -177.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 37.4 tp -78.25 96.06 5.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.119 0.485 . . . . 0.0 110.485 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.574 ' HB2' HD11 ' A' ' 129' ' ' ILE . 80.7 m -128.54 144.23 51.34 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.122 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.646 ' HA ' ' HA ' ' A' ' 126' ' ' LEU . 55.3 Cg_endo -71.49 164.0 37.16 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.086 1.857 . . . . 0.0 111.994 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.96 -43.49 98.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.24 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.59 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 17.1 tp 76.71 -18.68 0.47 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.369 173.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.787 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 4.0 p -106.56 13.92 27.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.159 0.504 . . . . 0.0 111.371 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 13.6 t70 -108.72 131.96 54.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.765 177.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.432 ' HA ' HD11 ' A' ' 41' ' ' ILE . . . -67.2 -40.87 86.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.8 0.333 . . . . 0.0 111.682 -176.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.67 ' HZ2' ' HB2' ' A' ' 106' ' ' LYS . 8.2 mtmp? -68.18 -33.61 74.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.217 0.532 . . . . 0.0 109.706 178.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.489 ' HA ' ' HD2' ' A' ' 110' ' ' PHE . 6.1 t30 -57.47 -41.7 81.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.208 173.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.49 ' HE3' ' HD1' ' A' ' 42' ' ' PHE . 15.9 mmt -67.65 -29.31 68.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.474 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.99 -41.8 99.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.489 ' HD2' ' HA ' ' A' ' 107' ' ' ASN . 51.2 m-85 -60.99 -42.18 97.93 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.643 177.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.16 -47.8 82.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.822 0.344 . . . . 0.0 110.696 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -73.76 -0.44 15.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.45 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -117.9 1.13 12.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.608 176.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.453 ' HA ' HD11 ' A' ' 120' ' ' LEU . 19.8 t90 -74.06 108.57 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.413 0.625 . . . . 0.0 110.69 -175.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -93.32 -16.88 24.21 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.566 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 125.3 -12.18 7.57 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.33 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.482 HG21 ' H ' ' A' ' 119' ' ' GLY . 51.7 m -63.06 122.96 17.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.743 0.306 . . . . 0.0 110.923 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.534 ' HA ' HD21 ' A' ' 121' ' ' LEU . 54.0 t80 -65.53 -20.16 66.22 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.328 -178.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.482 ' H ' HG21 ' A' ' 117' ' ' THR . . . -62.01 -27.83 69.44 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 121.127 -0.558 . . . . 0.0 112.47 177.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.506 HD21 ' O ' ' A' ' 120' ' ' LEU . 2.7 tt -71.3 -21.15 62.11 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 121.176 0.513 . . . . 0.0 109.806 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.534 HD21 ' HA ' ' A' ' 118' ' ' PHE . 4.5 mm? -73.32 -3.47 27.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.156 0.503 . . . . 0.0 110.807 -178.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -92.3 -35.7 13.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.733 172.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 39.6 p -86.96 -31.48 20.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.639 -175.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.485 ' HG ' ' CB ' ' A' ' 110' ' ' PHE . 1.9 tt -69.3 133.33 47.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.184 175.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.442 ' O ' ' HA ' ' A' ' 100' ' ' PRO . 40.9 ttm180 -78.06 85.49 4.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 0.0 111.451 -177.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.646 ' HA ' ' HA ' ' A' ' 100' ' ' PRO . 5.4 mp -103.81 128.07 51.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.684 171.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.413 HG13 HG13 ' A' ' 129' ' ' ILE . 18.9 pt -117.97 -171.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.156 -177.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.437 ' NH1' ' HA3' ' A' ' 139' ' ' GLY . 58.0 mtm180 -96.51 112.16 24.01 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.574 HD11 ' HB2' ' A' ' 99' ' ' CYS . 23.2 mt -114.42 133.9 59.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.241 -175.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.514 ' HB2' ' CG2' ' A' ' 136' ' ' VAL . 43.1 t-20 -106.12 109.22 21.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.427 -176.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.723 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 11.0 t0 58.45 -82.79 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 166.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.458 ' C ' ' HB3' ' A' ' 48' ' ' ARG . 14.0 mptt -90.97 29.75 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.49 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 82.46 17.05 69.62 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.6 176.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -81.03 135.81 35.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.151 0.5 . . . . 0.0 111.243 -174.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -62.16 118.87 7.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.369 177.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.514 ' CG2' ' HB2' ' A' ' 130' ' ' ASN . 94.1 t -93.0 127.18 45.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.366 -0.379 . . . . 0.0 109.992 173.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 24.1 m -112.88 161.09 12.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.96 -98.27 2.26 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.635 -178.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.437 ' HA3' ' NH1' ' A' ' 128' ' ' ARG . . . 90.1 -15.27 59.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.521 177.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -103.91 15.92 27.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.189 0.519 . . . . 0.0 109.899 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 C--O 1.247 0.942 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.192 -176.889 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.226 -0.136 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -63.66 -27.74 69.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.957 0.408 . . . . 0.0 109.935 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 2.3 mp0 -91.55 -51.58 5.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.16 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.44 ' HG ' HD11 ' A' ' 121' ' ' LEU . 7.2 mp -70.67 -45.7 64.6 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -171.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -27.42 68.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.033 0.444 . . . . 0.0 110.785 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.435 ' NH2' ' HA ' ' A' ' 20' ' ' GLU . 36.5 ttp180 -62.99 -47.43 83.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.38 177.167 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.3 t -69.51 -40.14 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.307 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -58.72 -40.49 83.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.536 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.43 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.3 t80 -60.62 -53.09 61.65 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.294 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.486 ' O ' HG23 ' A' ' 31' ' ' VAL . 55.9 mtt -56.15 -46.59 79.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.863 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -58.1 -54.95 41.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.953 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.15 -38.95 80.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.293 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 26' ' ' PHE . 49.4 t -60.7 -41.49 88.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.251 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 27' ' ' MET . 58.8 t -73.4 -37.83 51.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.056 0.455 . . . . 0.0 110.694 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.42 ' OD1' ' HG3' ' A' ' 112' ' ' ARG . 5.8 m-20 -79.22 -17.56 54.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.29 -173.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.57 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 75.6 p -100.63 166.4 10.92 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.71 1.35 6.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.7 0.286 . . . . 0.0 110.868 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.5 m -54.99 -55.38 31.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.332 175.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.402 ' HB2' HG12 ' A' ' 30' ' ' VAL . 40.9 m-85 -136.91 29.38 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.287 176.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.57 ' HB2' ' O ' ' A' ' 33' ' ' SER . 8.1 tmtm? -57.73 -32.52 67.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.715 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.91 -16.51 72.6 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.719 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -102.51 113.8 65.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.05 0.452 . . . . 0.0 109.987 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -76.59 -45.61 0.19 Allowed 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.282 1.988 . . . . 0.0 112.475 -178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.455 ' CG2' ' HA ' ' A' ' 103' ' ' SER . 35.5 mm -130.67 151.15 35.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.716 -175.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.682 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 98.7 m-85 -116.47 -170.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.834 0.349 . . . . 0.0 110.401 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -133.04 -171.64 2.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.98 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.695 ' O ' ' HB ' ' A' ' 47' ' ' THR . 15.6 m170 -78.7 -18.66 53.98 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -177.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.05 -42.39 66.34 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 173.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -68.65 -22.73 64.39 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.206 173.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.695 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 22.9 m -55.26 -63.54 1.13 Allowed 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.042 172.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.53 ' HD2' ' HD3' ' A' ' 132' ' ' LYS . 54.6 ttt85 -57.7 -38.71 75.68 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.655 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.19 -57.05 10.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.994 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -77.12 -38.02 52.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.816 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.9 mm -61.98 -47.94 90.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.693 0.283 . . . . 0.0 111.01 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -65.29 -39.51 92.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.597 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.5 m -61.27 -38.55 87.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.742 0.306 . . . . 0.0 110.883 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -63.52 -41.35 98.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.824 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.3 mt -75.38 -52.89 17.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.048 0.451 . . . . 0.0 110.544 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -71.94 -1.39 14.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.269 -173.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -53.75 -25.03 16.94 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.117 0.485 . . . . 0.0 110.309 170.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -62.43 -31.81 72.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.292 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.12 -31.77 66.33 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.465 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.8 m -63.94 -35.37 80.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.363 0.601 . . . . 0.0 109.785 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.65 -39.0 38.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.747 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.492 HD12 HD12 ' A' ' 65' ' ' LEU . 47.4 tp -64.01 -30.8 71.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.338 177.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.2 -34.31 74.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.32 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -66.91 -31.13 71.52 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.449 176.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.547 HD22 ' HG2' ' A' ' 75' ' ' PRO . 79.7 mt . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.547 ' HG2' HD22 ' A' ' 65' ' ' LEU . 3.9 Cg_exo . . . . . 0 N--CA 1.459 -0.518 0 N-CA-C 111.287 -0.313 . . . . 0.0 111.287 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.9 m -51.6 -42.78 62.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.154 -174.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -88.88 -49.8 6.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.587 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 78' ' ' ARG . 50.3 mtt180 -71.73 -27.56 63.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -169.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.46 ' HG3' HD11 ' A' ' 62' ' ' LEU . 53.3 tt0 -68.25 -33.61 74.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.148 0.499 . . . . 0.0 109.852 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.502 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 61.4 t -77.0 -45.48 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.93 176.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.3 tp -57.3 -41.77 80.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.297 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.05 -44.74 94.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.63 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 53.4 tt0 -67.2 -31.66 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.117 0.484 . . . . 0.0 110.908 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 96.5 mt-30 -66.46 -32.18 73.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.096 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -67.07 -36.47 82.09 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 83' ' ' GLN . 32.2 ttm180 -56.65 -46.11 81.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.379 176.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -56.69 -42.88 79.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.633 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -65.29 -47.61 76.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.396 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.87 -41.01 97.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.318 . . . . 0.0 111.056 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.9 mt -66.58 -31.45 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.649 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -69.98 -35.36 74.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.344 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -71.29 -37.18 71.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.758 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.694 ' HD1' ' HB2' ' A' ' 97' ' ' PHE . 41.5 t80 -64.43 -40.22 95.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.233 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.86 -20.71 65.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.651 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -99.48 16.88 21.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.374 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.06 94.12 1.18 Allowed Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.698 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.694 ' HB2' ' HD1' ' A' ' 93' ' ' PHE . 3.3 t80 -75.39 143.21 42.89 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 44.5 tp -73.73 94.15 2.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.141 0.496 . . . . 0.0 109.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 44.2 t -128.04 145.75 56.54 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.607 -175.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.607 ' HB3' HD21 ' A' ' 107' ' ' ASN . 18.1 Cg_exo -65.11 151.41 85.72 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.977 1.784 . . . . 0.0 110.107 169.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -63.7 -29.83 71.0 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.682 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 10.9 tp 73.75 1.67 4.0 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.841 170.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.455 ' HA ' ' CG2' ' A' ' 41' ' ' ILE . 57.8 m -116.16 -13.11 11.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.033 0.444 . . . . 0.0 111.57 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.5 ' O ' ' HG2' ' A' ' 108' ' ' MET . 12.0 t70 -83.8 119.62 25.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.049 176.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.46 -19.98 62.15 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -173.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -74.09 -50.11 21.01 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.607 HD21 ' HB3' ' A' ' 100' ' ' PRO . 43.2 t30 -58.35 -45.29 88.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.622 176.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.529 ' SD ' HD12 ' A' ' 102' ' ' LEU . 91.3 mmm -64.31 -29.99 71.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.006 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -78.34 -38.21 42.64 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.04 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -63.16 -39.74 95.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.037 0.446 . . . . 0.0 109.92 171.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.65 -35.69 74.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.224 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.42 ' HG3' ' OD1' ' A' ' 32' ' ' ASN . 51.1 ttp180 -70.51 -31.76 68.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.988 176.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -97.62 19.44 13.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.798 -173.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.613 ' HA ' HD13 ' A' ' 120' ' ' LEU . 45.1 t90 -72.18 103.4 3.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.18 0.514 . . . . 0.0 110.296 176.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -93.24 36.37 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.597 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 68.95 39.48 85.11 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.471 -0.871 . . . . 0.0 111.01 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.745 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 7.6 m -98.49 131.09 45.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.536 -0.332 . . . . 0.0 110.627 -175.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -79.0 -39.63 33.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.504 -177.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.6 -26.78 72.08 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.072 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.745 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 0.9 OUTLIER -68.15 -20.73 64.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.261 0.553 . . . . 0.0 109.987 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.44 HD11 ' HG ' ' A' ' 21' ' ' LEU . 97.1 mt -77.12 -2.57 34.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.735 -178.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -106.86 -22.69 12.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.263 0.554 . . . . 0.0 109.654 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 48.4 p -88.73 -12.62 41.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.882 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 120' ' ' LEU . 79.7 mt -76.07 153.59 36.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.664 177.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 125' ' ' ARG . 21.3 ttt180 -83.93 73.41 10.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.649 0.738 . . . . 0.0 109.234 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 83.9 mt -97.98 127.84 44.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.568 -176.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 19.6 pt -129.02 -179.25 2.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.998 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.503 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 10.7 mtp180 -100.32 116.52 32.48 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 176.156 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.575 HG21 HG21 ' A' ' 47' ' ' THR . 40.6 mt -114.9 132.44 64.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.31 -175.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -113.87 135.7 53.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.311 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.415 ' OD2' ' HG2' ' A' ' 132' ' ' LYS . 29.3 t0 56.98 -93.76 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 169.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.53 ' HD3' ' HD2' ' A' ' 48' ' ' ARG . 43.7 mmtm -101.23 14.93 30.43 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -171.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.675 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 103.47 32.39 4.56 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 119.876 -1.154 . . . . 0.0 111.166 -176.295 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -84.4 141.99 30.45 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -177.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -78.2 113.92 16.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.62 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 59.5 t -93.92 115.39 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.344 178.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.2 m . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.116 177.888 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.416 HG22 ' HB2' ' A' ' 22' ' ' ALA . 9.2 p . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 120.64 0.257 . . . . 0.0 111.495 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -53.43 -31.11 43.78 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.027 0.442 . . . . 0.0 110.441 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.608 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 44.9 mm-40 -95.11 -35.66 11.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.028 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 118' ' ' PHE . 5.9 mp -83.12 -26.81 30.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -170.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' HB2' HG22 ' A' ' 18' ' ' VAL . . . -56.5 -30.21 62.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.164 0.507 . . . . 0.0 110.909 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.608 ' NH2' ' HA ' ' A' ' 20' ' ' GLU . 2.2 ptp180 -75.82 -35.38 60.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.524 -177.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.43 -41.02 42.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.009 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -67.56 -35.8 79.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.303 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.509 ' O ' HG23 ' A' ' 30' ' ' VAL . 83.3 t80 -61.16 -49.27 77.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.365 176.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.6 mtt -58.04 -41.78 83.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.881 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -61.01 -44.96 96.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.979 0.419 . . . . 0.0 110.857 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -61.66 -44.11 97.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.446 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.81 HG12 ' HB2' ' A' ' 36' ' ' PHE . 58.9 t -68.8 -39.44 80.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.068 -174.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.0 m -74.02 -27.36 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 120.929 0.395 . . . . 0.0 111.506 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -84.11 -20.7 32.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.258 0.552 . . . . 0.0 110.655 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 36.8 t -89.93 159.91 16.69 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.718 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -72.13 -5.0 32.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.64 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.481 HG22 ' HD2' ' A' ' 36' ' ' PHE . 72.0 m -52.9 -56.48 15.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.728 174.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.81 ' HB2' HG12 ' A' ' 30' ' ' VAL . 10.4 m-85 -136.36 25.96 3.18 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 33' ' ' SER . 36.4 ttpt -66.89 -12.6 59.89 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.432 0.634 . . . . 0.0 110.0 176.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.36 -20.45 76.85 Favored Glycine 0 C--N 1.334 0.428 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.23 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -116.06 97.3 49.15 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 120.54 0.21 . . . . 0.0 110.508 176.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.24 -28.32 72.68 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.371 2.047 . . . . 0.0 111.147 175.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' ' 102' ' ' LEU . 33.7 mm -124.36 130.38 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.342 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -90.07 142.08 28.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.439 0.638 . . . . 0.0 111.816 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.42 ' CG ' ' HD1' ' A' ' 46' ' ' HIS . 2.1 p30 -82.85 173.24 12.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.364 172.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.645 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 25.2 m170 -86.94 -14.35 42.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.573 -173.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.2 -49.01 60.43 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 172.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.42 ' HD1' ' CG ' ' A' ' 43' ' ' ASP . 50.1 m80 -69.03 -22.09 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.375 174.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.539 ' OG1' ' HA ' ' A' ' 44' ' ' HIS . 53.8 m -58.92 -54.81 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 171.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -60.09 -40.06 88.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.07 0.462 . . . . 0.0 110.024 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.41 -49.35 76.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.602 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -69.04 -46.56 67.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.619 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 47' ' ' THR . 68.9 mt -58.45 -49.44 82.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.956 0.408 . . . . 0.0 110.892 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -64.9 -35.25 80.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.757 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.7 t -66.52 -33.21 75.17 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.103 0.477 . . . . 0.0 110.242 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -62.37 -47.63 83.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.189 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.4 mt -74.29 -17.43 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 121.711 0.767 . . . . 0.0 110.286 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.868 ' HA ' HH21 ' A' ' 86' ' ' ARG . 33.2 tt0 -80.57 -21.82 41.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.595 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.604 ' HD3' ' O ' ' A' ' 57' ' ' ARG . 3.5 tmt_? -59.4 -23.98 63.07 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.65 178.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -68.39 -9.29 47.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.124 -0.36 . . . . 0.0 111.698 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -30.71 70.86 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.8 m -63.71 -37.9 89.07 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.26 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.72 -45.72 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.118 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.2 tp -64.49 -33.5 76.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.839 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.86 -44.13 97.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.708 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -69.4 -27.67 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.179 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 121.345 0.593 . . . . 0.0 109.691 173.577 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.655 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 1.5 Cg_endo . . . . . 0 C--O 1.232 0.193 0 N-CA-C 113.017 0.353 . . . . 0.0 113.017 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.7 m -67.82 -29.44 68.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.589 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -86.7 -42.14 13.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.349 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.655 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 65.1 mtt-85 -70.87 -31.57 68.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -175.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 75' ' ' PRO . 64.2 mt-30 -65.66 -38.79 90.32 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 94.6 t -71.32 -40.97 74.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.201 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.5 tp -60.04 -40.55 89.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.505 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.8 -43.81 74.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.237 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -56.6 -40.57 75.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.937 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 97.6 mt-30 -60.03 -38.72 83.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.476 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.595 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 5.1 ttp180 -74.15 -37.65 63.96 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.868 HH21 ' HA ' ' A' ' 56' ' ' GLU . 43.2 ttt180 -68.52 -34.82 76.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.527 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -65.52 -38.51 89.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.165 0.507 . . . . 0.0 109.88 174.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.424 ' HB3' ' O ' ' A' ' 85' ' ' ARG . 27.8 tt0 -58.91 -39.46 81.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.562 176.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 3.9 mm-40 -62.41 -46.36 88.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.892 177.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.42 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.4 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -57.39 -46.26 83.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.675 176.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.83 -36.49 72.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.299 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 1.008 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 47.0 t80 -65.45 -46.52 79.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.319 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.545 ' HD3' ' O ' ' A' ' 94' ' ' LYS . 9.2 tmtm? -70.3 -20.78 62.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.233 0.54 . . . . 0.0 110.222 -177.056 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.32 4.66 53.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.471 176.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.26 89.49 2.11 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.067 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 1.008 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 17.1 t80 -78.47 141.44 38.24 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -178.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 127' ' ' ILE . 30.3 tp -74.14 93.4 2.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.079 0.466 . . . . 0.0 111.325 -176.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.612 ' HB2' HD12 ' A' ' 129' ' ' ILE . 75.7 m -128.18 159.31 67.76 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.19 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.26 147.06 71.52 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.472 2.114 . . . . 0.0 111.455 175.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 103' ' ' SER . 3.4 m-20 -53.33 -36.28 61.12 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.251 176.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 41' ' ' ILE . 20.9 mt 71.45 -26.78 0.17 Allowed 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 114.717 -1.129 . . . . 0.0 112.519 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 101' ' ' ASP . 20.8 m -85.99 17.36 3.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.108 0.48 . . . . 0.0 110.781 -175.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -126.79 136.64 52.67 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.233 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.21 -30.41 57.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.868 -174.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 106' ' ' LYS . 29.0 mmtp -79.31 -32.73 43.56 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -58.53 -50.91 72.06 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 170.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 43.5 tpp -61.8 -30.34 70.75 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.309 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.462 ' HG3' ' NH2' ' A' ' 112' ' ' ARG . 33.8 tt0 -65.01 -52.63 55.01 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 122.181 -0.324 . . . . 0.0 110.608 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.496 ' HB3' HD23 ' A' ' 124' ' ' LEU . 29.4 m-85 -58.0 -39.97 79.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.988 0.423 . . . . 0.0 110.638 176.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.72 -38.0 85.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.782 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.462 ' NH2' ' HG3' ' A' ' 109' ' ' GLU . 29.0 ttp85 -72.64 -41.36 65.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.428 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -86.57 7.69 25.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.318 0.58 . . . . 0.0 110.537 -176.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -68.42 141.64 55.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.821 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -127.53 -170.16 2.18 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -73.39 62.32 1.85 Allowed Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.877 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.5 m -131.5 105.41 7.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.968 0.413 . . . . 0.0 110.174 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.429 ' HB3' HD21 ' A' ' 21' ' ' LEU . 11.6 p90 -69.71 -16.35 63.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.439 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -73.94 -10.41 80.68 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.336 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.8 mt -83.67 -0.98 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 124' ' ' LEU . 58.6 mt -78.26 -12.25 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.166 0.507 . . . . 0.0 110.37 178.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -94.2 -24.87 17.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.979 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 63.1 p -82.74 -32.27 27.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.211 0.529 . . . . 0.0 110.231 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.503 HD12 HD23 ' A' ' 121' ' ' LEU . 20.3 mt -63.86 139.14 58.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.854 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -75.95 93.97 3.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.421 173.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 80.1 mt -118.81 137.48 53.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.158 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 98' ' ' LEU . 43.9 pt -123.17 -173.09 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.265 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.568 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 42.1 mtp180 -104.57 119.36 38.8 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 175.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.612 HD12 ' HB2' ' A' ' 99' ' ' CYS . 38.2 mt -110.41 132.63 58.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -178.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -127.24 144.48 51.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.35 -175.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 62.82 -78.34 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 172.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -134.86 36.1 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.906 0.384 . . . . 0.0 111.77 -171.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.645 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 92.34 17.78 44.87 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 119.939 -1.125 . . . . 0.0 111.994 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -80.67 137.84 36.34 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -79.83 117.35 20.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.022 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.568 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 59.2 t -82.28 112.45 20.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.393 -176.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.319 -0.745 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 171.591 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 18' ' ' VAL . 29.2 t . . . . . 0 C--O 1.225 -0.233 0 CA-C-O 121.397 0.617 . . . . 0.0 109.975 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -70.8 -36.33 72.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.323 0.582 . . . . 0.0 109.892 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -81.36 -27.24 34.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.477 175.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.3 mt -74.98 -36.8 62.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.143 0.497 . . . . 0.0 110.205 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.28 -19.88 62.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.251 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -42.94 93.05 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.487 HG22 ' HG3' ' A' ' 100' ' ' PRO . 69.6 t -70.59 -42.76 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.291 178.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.2 tttm -61.13 -41.04 96.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.89 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.3 t80 -59.57 -47.49 85.34 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 176.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.648 ' O ' HG23 ' A' ' 31' ' ' VAL . 66.2 mtt -59.56 -48.12 82.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.49 178.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.573 ' HG3' ' HA ' ' A' ' 112' ' ' ARG . 38.4 tt0 -55.78 -47.11 77.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.999 0.428 . . . . 0.0 110.328 178.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.98 -46.68 88.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.347 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.484 HG12 ' HB2' ' A' ' 36' ' ' PHE . 77.2 t -62.73 -43.18 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.654 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 27' ' ' MET . 61.2 t -61.65 -36.11 71.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.362 0.601 . . . . 0.0 110.444 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.613 HD21 ' HG3' ' A' ' 112' ' ' ARG . 53.9 m-80 -94.51 3.58 54.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.888 -178.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.8 t -100.01 150.42 22.45 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 1.029 ' HA ' ' HB2' ' A' ' 37' ' ' LYS . 21.7 m-20 -70.45 -4.51 22.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.221 0.534 . . . . 0.0 110.384 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.448 HG22 ' CD1' ' A' ' 36' ' ' PHE . 26.3 m -58.12 -44.64 87.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.445 172.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.484 ' HB2' HG12 ' A' ' 30' ' ' VAL . 50.2 m-85 -138.32 30.88 2.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.559 0.695 . . . . 0.0 109.966 177.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 1.029 ' HB2' ' HA ' ' A' ' 34' ' ' ASP . 17.0 tptm -52.78 -35.13 56.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.021 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.32 15.29 63.59 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.031 -176.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -116.28 94.52 42.66 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 178.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.421 ' O ' ' HG2' ' A' ' 108' ' ' MET . 29.0 Cg_exo -62.67 -48.07 7.89 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.919 2.413 . . . . 0.0 112.267 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.7 mm -115.97 148.91 18.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.517 ' CE1' HG22 ' A' ' 31' ' ' VAL . 42.4 m-85 -111.94 127.93 56.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.362 0.601 . . . . 0.0 111.366 -176.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.31 155.41 21.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.183 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -62.54 -24.89 67.75 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 48' ' ' ARG . . . -68.16 -35.31 77.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.42 173.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -74.75 -38.66 62.18 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.49 HG21 HD13 ' A' ' 129' ' ' ILE . 87.2 m -56.59 -51.13 69.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.181 0.515 . . . . 0.0 110.045 171.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 1.013 ' HG3' ' HB3' ' A' ' 132' ' ' LYS . 14.0 ttt180 -42.69 -52.05 5.05 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.805 174.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -73.08 -43.28 62.05 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.169 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.69 -44.45 96.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 47' ' ' THR . 68.5 mt -61.13 -49.24 85.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.403 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -64.2 -44.08 93.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.812 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.4 t -66.87 -33.52 75.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.342 -177.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -64.0 -40.23 95.9 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.692 HG23 ' HB2' ' A' ' 86' ' ' ARG . 83.6 mt -63.13 -42.17 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.181 176.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.3 -19.04 63.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.575 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.429 HH21 ' HA ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -71.11 -30.26 66.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.437 179.563 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.429 ' HA ' HH21 ' A' ' 57' ' ' ARG . 11.9 t70 -67.08 -31.73 72.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.339 0.59 . . . . 0.0 110.13 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.06 -23.13 67.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.506 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.2 m -74.83 -26.99 60.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.514 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.456 ' CD ' HH12 ' A' ' 85' ' ' ARG . 54.3 tt0 -82.66 -33.18 27.85 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 174.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.709 ' HB2' HD12 ' A' ' 82' ' ' LEU . 54.5 tp -62.18 -32.03 72.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.016 172.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.41 -31.16 72.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.636 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.15 -38.49 83.27 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.38 175.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.558 178.961 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo . . . . . 0 N--CA 1.45 -1.035 0 CA-C-O 120.651 0.188 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.5 m -73.14 -72.8 0.23 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.968 0.413 . . . . 0.0 110.568 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -76.49 -35.04 58.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.948 -176.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -65.59 -29.83 70.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.606 -174.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -73.52 -34.52 65.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.091 0.472 . . . . 0.0 109.809 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.482 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 62.1 t -66.93 -39.99 84.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.068 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -55.56 -39.88 71.22 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.301 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.709 HD12 ' HB2' ' A' ' 62' ' ' LEU . 1.6 tm? -67.28 -53.84 26.17 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 87' ' ' ASP . 46.0 tt0 -51.32 -38.49 53.28 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.448 -178.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 90.8 mt-30 -60.12 -25.05 65.17 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -177.392 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.456 HH12 ' CD ' ' A' ' 61' ' ' GLU . 97.8 mtt180 -49.21 -64.1 0.91 Allowed 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.714 0.769 . . . . 0.0 110.134 177.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.692 ' HB2' HG23 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -91.61 -6.3 52.49 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.227 -172.403 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 83' ' ' GLN . 0.5 OUTLIER -76.82 -36.89 56.57 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 172.827 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -66.83 -39.99 87.85 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.182 170.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 93' ' ' PHE . 42.3 mt-10 -59.92 -33.21 71.58 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.93 176.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 85.4 mt -69.7 -33.29 72.32 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.043 0.449 . . . . 0.0 110.722 176.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -64.88 -40.67 95.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.289 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -83.45 -26.08 30.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.166 0.508 . . . . 0.0 110.078 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.482 ' HB3' ' O ' ' A' ' 90' ' ' LEU . 68.2 t80 -52.12 -42.17 63.09 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.217 1.007 . . . . 0.0 110.372 174.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -62.1 -30.77 71.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.782 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -111.18 14.42 21.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.83 0.347 . . . . 0.0 111.109 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.572 ' HA2' ' HA ' ' A' ' 130' ' ' ASN . . . 87.85 124.85 2.12 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.079 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -95.82 154.78 17.05 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 54.7 tp -75.27 98.63 3.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.031 0.444 . . . . 0.0 111.005 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.471 ' HB2' HD12 ' A' ' 129' ' ' ILE . 71.7 m -128.6 145.24 55.26 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.257 177.243 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.836 ' HA ' ' HA ' ' A' ' 126' ' ' LEU . 33.7 Cg_endo -67.08 150.84 82.42 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.351 2.034 . . . . 0.0 112.613 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.23 109.98 8.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.098 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.548 HD21 ' SD ' ' A' ' 27' ' ' MET . 34.8 mt -92.16 0.86 57.47 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -177.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.8 p -98.26 12.11 35.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.949 0.404 . . . . 0.0 111.552 -175.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -127.4 137.98 52.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.319 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.4 -26.4 55.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -174.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.436 ' HD3' ' H ' ' A' ' 106' ' ' LYS . 3.4 mppt? -77.73 -36.22 51.07 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.471 ' ND2' ' HB3' ' A' ' 125' ' ' ARG . 12.3 m120 -63.73 -45.16 91.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.135 174.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.427 ' SD ' HG21 ' A' ' 31' ' ' VAL . 39.8 tpp -62.54 -33.85 75.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.925 0.393 . . . . 0.0 110.457 175.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.13 -51.06 69.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.238 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -64.55 -33.65 76.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.737 0.303 . . . . 0.0 110.863 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.452 ' HG ' HG13 ' A' ' 24' ' ' VAL . 9.9 tt -66.83 -40.47 88.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.544 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.613 ' HG3' HD21 ' A' ' 32' ' ' ASN . 58.9 ttt180 -77.94 -33.09 51.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.142 0.496 . . . . 0.0 110.491 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -87.37 19.21 3.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.704 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.659 ' HA ' HD13 ' A' ' 120' ' ' LEU . 16.7 t90 -68.18 112.14 4.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.115 0.483 . . . . 0.0 109.784 178.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.56 -2.09 58.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.309 -177.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.25 -0.36 60.1 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.449 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.8 t -82.41 141.59 32.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.574 ' HA ' HD23 ' A' ' 121' ' ' LEU . 67.5 t80 -72.42 -25.01 61.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.185 -177.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.89 -26.06 68.46 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.268 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.659 HD13 ' HA ' ' A' ' 114' ' ' TRP . 1.6 mt -69.02 -16.46 63.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.093 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 118' ' ' PHE . 4.2 mm? -81.15 -9.06 59.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.047 0.451 . . . . 0.0 110.408 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -93.44 -19.01 21.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.772 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.524 ' OG1' HD23 ' A' ' 120' ' ' LEU . 71.4 p -98.15 -33.5 11.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.427 0.632 . . . . 0.0 110.202 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 120' ' ' LEU . 0.5 OUTLIER -71.48 130.06 40.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.468 176.229 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.471 ' HB3' ' ND2' ' A' ' 107' ' ' ASN . 8.3 ttt180 -81.77 95.13 7.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.304 0.574 . . . . 0.0 111.075 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.836 ' HA ' ' HA ' ' A' ' 100' ' ' PRO . 8.8 mp -98.61 130.46 45.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.146 171.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 20.6 pt -126.18 -172.85 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.087 0.47 . . . . 0.0 111.165 -173.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.543 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 10.8 mmm180 -96.96 122.12 39.6 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.49 HD13 HG21 ' A' ' 47' ' ' THR . 37.9 mt -118.9 121.22 66.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.007 0.432 . . . . 0.0 110.25 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.572 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . 23.7 t-20 -91.54 136.18 33.31 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.881 -172.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.7 t70 52.94 -97.13 0.06 Allowed 'General case' 0 CA--C 1.531 0.228 0 O-C-N 124.39 1.056 . . . . 0.0 111.618 173.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 1.013 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . 63.5 mttm -126.68 80.76 1.96 Allowed 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.896 -0.503 . . . . 0.0 111.114 -176.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 74.49 22.38 77.44 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.6 -0.727 . . . . 0.0 113.763 172.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -95.08 132.28 40.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.109 0.455 . . . . 0.0 110.322 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -67.42 131.37 45.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.241 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.543 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 20.1 t -125.73 101.28 8.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.144 171.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 54.4 t . . . . . 0 C--N 1.32 -0.695 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 173.195 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.512 ' HA ' ' HB2' ' A' ' 21' ' ' LEU . 35.7 t . . . . . 0 N--CA 1.456 -0.153 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -53.08 -43.71 66.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.466 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -87.07 -31.84 20.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.663 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.512 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 85.7 mt -58.08 -43.22 86.93 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.831 0.348 . . . . 0.0 111.002 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.98 -30.65 68.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.631 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.447 ' NH1' ' HZ ' ' A' ' 97' ' ' PHE . 63.8 mtt85 -73.95 -39.05 64.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.854 0.359 . . . . 0.0 110.296 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -67.52 -37.91 79.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.238 0.542 . . . . 0.0 109.601 174.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -57.37 -46.19 83.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.415 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -57.36 -40.8 78.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.731 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.567 ' O ' HG23 ' A' ' 31' ' ' VAL . 59.7 mtt -67.46 -43.64 80.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.129 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.8 tm0? -62.5 -43.23 99.32 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -60.33 -52.14 66.52 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.995 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 27' ' ' MET . 10.5 p -64.14 -34.1 66.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -174.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 27' ' ' MET . 81.4 t -62.9 -37.94 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.465 0.65 . . . . 0.0 109.964 175.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -96.32 6.32 49.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.788 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.488 ' HB3' ' HA ' ' A' ' 30' ' ' VAL . 45.8 t -102.11 142.47 33.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.439 -178.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -61.46 -17.1 52.92 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.228 -176.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.0 m -59.66 -36.98 77.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.252 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.401 ' HB2' HG22 ' A' ' 30' ' ' VAL . 41.8 m-85 -143.68 24.8 1.69 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.668 0.271 . . . . 0.0 111.364 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 33' ' ' SER . 61.6 tttm -64.86 -24.91 67.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.987 0.423 . . . . 0.0 110.721 -177.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.23 -17.56 72.27 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.745 178.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -110.4 107.81 58.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 110.425 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.0 -34.41 38.29 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.755 2.303 . . . . 0.0 112.262 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 37.3 mm -123.3 147.39 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.153 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.405 ' HB2' ' HB3' ' A' ' 102' ' ' LEU . 50.2 m-85 -103.52 -165.32 1.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.722 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.525 ' H ' ' HB2' ' A' ' 46' ' ' HIS . 4.3 m-20 -132.17 169.47 16.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.085 -172.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.525 ' O ' ' HB ' ' A' ' 47' ' ' THR . 17.6 m-70 -70.93 -31.96 68.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.018 0.437 . . . . 0.0 110.024 177.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.15 -39.74 78.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.968 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.525 ' HB2' ' H ' ' A' ' 43' ' ' ASP . 4.7 m80 -65.75 -29.43 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.74 175.11 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.525 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 72.6 m -55.3 -58.39 7.93 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 170.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.545 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 22.8 ttt180 -52.54 -46.72 66.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.333 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.55 -51.56 68.07 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.574 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -69.21 -39.87 78.34 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.5 mm -62.67 -47.62 92.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.169 0.509 . . . . 0.0 109.759 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -66.08 -31.4 72.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.81 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 t -62.11 -39.94 94.2 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.262 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -69.62 -33.22 72.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.978 0.418 . . . . 0.0 110.007 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.421 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 67.6 mt -70.71 -34.92 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.175 0.512 . . . . 0.0 110.072 175.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -68.98 -21.86 64.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.573 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -55.43 -29.14 58.05 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.358 174.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.619 ' HB2' HH22 ' A' ' 85' ' ' ARG . 2.1 t70 -56.83 -36.56 70.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.273 177.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.493 ' HB2' HH12 ' A' ' 86' ' ' ARG . 19.8 t70 -68.5 -16.8 64.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.379 -176.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.8 m -76.31 -36.1 58.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.115 0.483 . . . . 0.0 109.96 175.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.04 -40.73 37.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.459 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.3 tp -65.21 -29.18 69.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.564 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -53.61 -41.52 66.73 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.142 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -56.12 -45.86 79.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.825 176.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.51 HD21 ' HD2' ' A' ' 78' ' ' ARG . 85.9 mt . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.961 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.51 ' HB2' ' HB3' ' A' ' 78' ' ' ARG . 13.3 Cg_exo . . . . . 0 N--CA 1.461 -0.39 0 CA-C-O 120.416 0.09 . . . . 0.0 112.235 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.1 p -59.15 -49.23 78.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.992 0.425 . . . . 0.0 110.258 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -56.23 -57.0 14.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.094 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.51 ' HB3' ' HB2' ' A' ' 75' ' ' PRO . 40.4 ttm-85 -61.28 -46.05 91.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.587 -176.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.498 ' HA ' HD13 ' A' ' 65' ' ' LEU . 34.0 tt0 -62.89 -48.12 80.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.041 -177.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.81 -39.32 84.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.355 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.7 tp -62.74 -45.47 92.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.927 0.394 . . . . 0.0 110.489 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.33 -49.86 75.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.776 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.09 -37.28 86.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.368 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -66.8 -27.47 67.6 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.446 0.165 . . . . 0.0 111.317 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.619 HH22 ' HB2' ' A' ' 58' ' ' ASP . 4.7 ttp-105 -63.01 -50.66 69.86 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 174.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.615 ' HD2' ' OD1' ' A' ' 58' ' ' ASP . 31.6 ttt180 -60.78 -42.08 96.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.414 177.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -57.35 -45.02 84.79 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.632 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -69.75 -38.77 76.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 85' ' ' ARG . 77.4 mt-10 -59.96 -39.58 86.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.934 0.397 . . . . 0.0 110.368 177.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 95.2 mt -63.18 -37.24 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.703 177.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -73.65 -36.53 65.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.372 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.72 -37.63 88.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.505 0.669 . . . . 0.0 109.576 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 1.026 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 37.6 t80 -67.17 -40.35 86.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.47 177.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -66.11 -33.84 76.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.839 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.14 17.19 3.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.337 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.58 86.67 1.14 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.596 -0.812 . . . . 0.0 111.517 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 1.026 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 28.7 t80 -80.12 148.93 30.77 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -175.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.9 tp -72.34 94.89 1.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.951 0.405 . . . . 0.0 110.539 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.704 ' HB2' HD12 ' A' ' 129' ' ' ILE . 15.1 m -128.18 150.36 73.73 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.409 -178.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.512 ' HG2' ' SD ' ' A' ' 27' ' ' MET . 5.7 Cg_exo -75.25 153.1 40.39 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.356 2.037 . . . . 0.0 111.616 171.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -70.75 -27.5 63.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.724 ' HA ' ' SD ' ' A' ' 108' ' ' MET . 44.9 mt 62.44 14.7 7.15 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.645 177.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.9 m -110.88 -43.32 3.81 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.466 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.95 113.05 5.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.951 0.405 . . . . 0.0 109.957 176.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.06 -37.95 78.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.035 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -68.48 -35.48 77.59 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.483 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.624 ' ND2' ' HB2' ' A' ' 125' ' ' ARG . 45.8 t30 -64.81 -44.52 89.63 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.724 ' SD ' ' HA ' ' A' ' 102' ' ' LEU . 92.6 mmm -63.3 -37.18 86.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.973 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.07 -39.46 86.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.371 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -72.18 -30.38 64.92 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.5 tt -68.46 -35.79 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.405 172.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 112' ' ' ARG . 33.2 ttt180 -70.36 -23.62 62.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.287 177.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -86.86 2.01 50.51 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.295 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.456 ' CZ2' ' HA2' ' A' ' 116' ' ' GLY . 46.4 t90 -65.89 115.07 5.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.933 0.397 . . . . 0.0 110.816 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -104.71 21.18 17.34 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 110.729 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.456 ' HA2' ' CZ2' ' A' ' 114' ' ' TRP . . . 90.62 37.76 6.4 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -173.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.912 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 0.2 OUTLIER -94.14 124.25 38.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.266 -0.467 . . . . 0.0 110.597 -175.31 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -78.21 -40.67 36.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.965 0.412 . . . . 0.0 110.295 -178.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -68.51 -12.71 64.36 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.392 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.912 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 0.5 OUTLIER -72.72 -14.48 61.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.39 0.615 . . . . 0.0 109.883 179.112 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.413 HD11 ' CD2' ' A' ' 21' ' ' LEU . 69.0 mt -73.55 -19.03 61.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.159 0.504 . . . . 0.0 110.089 176.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -97.95 13.66 30.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.195 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 50.0 p -129.37 -34.1 1.86 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.172 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.74 152.34 35.98 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.317 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.624 ' HB2' ' ND2' ' A' ' 107' ' ' ASN . 38.0 mtp85 -77.1 72.24 3.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.27 0.557 . . . . 0.0 109.884 173.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.7 102.92 15.09 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.776 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.503 HD12 ' HG3' ' A' ' 135' ' ' GLN . 16.9 pt -106.67 176.16 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.259 -175.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -96.79 120.8 37.8 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 175.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.704 HD12 ' HB2' ' A' ' 99' ' ' CYS . 25.3 mt -118.52 132.24 68.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.292 -175.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -101.7 120.39 40.27 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.581 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.6 t70 56.76 -93.94 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 171.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.545 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 10.9 pttm -100.79 44.27 1.02 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -167.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.456 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 79.6 31.01 42.21 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.346 176.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -90.72 111.5 22.89 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.503 ' HG3' HD12 ' A' ' 127' ' ' ILE . 54.2 tt0 -70.54 119.0 14.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.171 0.51 . . . . 0.0 110.843 -177.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.9 t -84.84 97.35 5.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.605 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.359 -176.334 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.0 t . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.774 0.321 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -67.12 -8.52 31.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.331 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.74 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 37.5 tp10 -102.19 -66.59 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.903 -178.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.5 mt -70.54 -31.93 69.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.282 -170.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 -32.48 72.24 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.74 ' NH1' ' HA ' ' A' ' 20' ' ' GLU . 15.6 mtm-85 -66.41 -43.67 85.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.174 0.511 . . . . 0.0 109.87 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.41 -45.1 94.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.713 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -68.16 -30.93 70.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.792 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 30' ' ' VAL . 63.1 t80 -60.49 -54.92 39.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 173.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.583 ' O ' HG23 ' A' ' 31' ' ' VAL . 63.0 mtt -55.77 -45.19 78.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.201 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -50.24 -57.35 8.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.049 176.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.563 ' HA ' ' HB2' ' A' ' 32' ' ' ASN . 81.0 m-20 -73.72 -16.09 61.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.058 -173.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 26' ' ' PHE . 53.6 t -72.73 -37.66 56.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 172.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 27' ' ' MET . 20.6 t -75.82 -26.84 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.84 176.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.563 ' HB2' ' HA ' ' A' ' 29' ' ' ASP . 86.0 m-20 -77.73 -38.67 46.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.155 177.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 35.6 t -78.07 159.8 28.48 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.803 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.09 1.1 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.126 0.489 . . . . 0.0 110.451 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 m -56.94 -55.24 37.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.491 174.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.417 ' HD1' ' HG3' ' A' ' 39' ' ' GLN . 52.6 m-85 -137.57 22.53 2.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.334 178.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 33' ' ' SER . 35.2 ttpt -57.76 -31.38 66.44 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.025 0.441 . . . . 0.0 111.352 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.1 -4.9 89.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.516 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 83.6 mm-40 -107.03 121.0 46.17 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 39' ' ' GLN . 23.2 Cg_exo -65.78 -61.47 0.09 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.641 2.227 . . . . 0.0 112.601 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 105' ' ' ALA . 7.5 mm -125.76 163.69 26.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -176.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.889 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 92.2 m-85 -110.22 -160.38 0.71 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.993 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.595 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 1.9 p30 -142.29 -177.68 5.37 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.257 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.537 ' O ' ' HB ' ' A' ' 47' ' ' THR . 4.3 m-70 -81.11 -21.71 39.67 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.601 0.239 . . . . 0.0 111.448 -177.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.01 -37.96 72.65 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 175.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -67.24 -26.09 66.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.679 173.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.537 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 93.9 m -57.88 -63.56 1.21 Allowed 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 172.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.611 ' HD3' ' HB3' ' A' ' 132' ' ' LYS . 12.8 ptt180 -61.21 -32.25 72.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.122 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.22 -50.15 72.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.686 0.279 . . . . 0.0 110.744 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -73.54 -40.37 64.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.546 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 47' ' ' THR . 46.4 mm -65.69 -43.59 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.785 0.326 . . . . 0.0 110.997 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -62.96 -47.64 82.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.7 p -67.75 -32.85 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.178 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -61.86 -39.82 93.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.806 0.336 . . . . 0.0 110.804 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.2 mt -81.32 -39.22 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.805 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -67.43 -18.25 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.244 0.545 . . . . 0.0 110.211 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.585 ' HB3' HH11 ' A' ' 57' ' ' ARG . 2.6 ttp-105 -54.42 -36.21 63.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.092 176.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -64.7 -22.2 66.92 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.674 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.28 -21.35 63.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.989 0.423 . . . . 0.0 110.184 177.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.9 m -78.27 -28.13 47.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.226 178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -84.8 -34.02 22.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.26 0.552 . . . . 0.0 109.683 174.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.36 -27.26 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.476 171.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.71 -32.41 73.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.376 178.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.83 -48.61 79.81 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 174.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 79' ' ' GLN . 97.4 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.009 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo . . . . . 0 N--CA 1.462 -0.345 0 CA-C-O 120.59 0.162 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 80' ' ' VAL . 8.0 p -60.76 -57.8 11.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.565 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -63.48 -43.76 96.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.775 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.7 mtt-85 -64.17 -41.22 97.22 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -176.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.401 ' HA ' HD13 ' A' ' 65' ' ' LEU . 48.0 tt0 -67.0 -39.91 87.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.983 0.421 . . . . 0.0 110.465 178.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.493 ' O ' ' HG2' ' A' ' 84' ' ' GLN . 69.4 t -64.58 -40.35 88.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.505 177.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.3 tp -59.78 -41.63 91.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.775 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.97 -47.39 86.66 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -57.36 -49.82 74.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.361 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 80' ' ' VAL . 86.5 mm-40 -55.03 -46.2 75.27 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.867 -176.073 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -67.17 -42.7 83.84 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.238 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.481 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 52.5 ttp180 -63.11 -46.81 85.57 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -178.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.57 -36.3 80.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.571 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.03 -44.23 93.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.086 0.469 . . . . 0.0 110.437 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -74.27 -25.93 59.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.1 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 92.4 mt -66.15 -31.34 72.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.337 0.589 . . . . 0.0 109.735 172.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.501 ' HD3' ' C ' ' A' ' 91' ' ' LYS . 5.1 tmtm? -71.12 -40.78 71.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.772 175.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -61.0 -35.63 77.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.421 0.629 . . . . 0.0 109.607 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -60.42 -39.52 87.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.549 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 90' ' ' LEU . 84.0 mttt -71.43 -30.66 66.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.506 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.1 12.13 5.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.814 -172.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.95 81.25 1.02 Allowed Glycine 0 N--CA 1.442 -0.958 0 C-N-CA 120.34 -0.933 . . . . 0.0 110.784 -174.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.559 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 28.5 t80 -55.51 129.46 38.95 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 122.753 0.421 . . . . 0.0 110.408 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.8 tp -67.1 103.31 1.16 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.161 0.505 . . . . 0.0 110.481 -176.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.688 ' HB2' HD12 ' A' ' 129' ' ' ILE . 33.9 m -128.51 154.28 79.41 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.794 -179.045 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.56 149.15 55.07 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.096 1.864 . . . . 0.0 109.622 166.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -55.95 -36.59 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.004 0.431 . . . . 0.0 110.298 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.889 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 15.4 tp 75.7 -32.4 0.21 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.318 171.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.595 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 5.7 p -87.48 -18.17 30.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.928 0.394 . . . . 0.0 110.495 175.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.91 122.62 24.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.388 174.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.561 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -64.87 -36.8 85.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.335 -175.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.515 ' HB3' ' NH2' ' A' ' 125' ' ' ARG . 51.1 tptt -65.19 -40.35 94.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.916 0.388 . . . . 0.0 110.288 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.607 HD21 ' HB2' ' A' ' 125' ' ' ARG . 18.5 m-80 -58.45 -46.06 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.496 173.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.45 ' SD ' HD22 ' A' ' 111' ' ' LEU . 36.4 tpp -66.1 -28.27 68.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.091 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -62.88 -52.93 61.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.705 0.288 . . . . 0.0 110.314 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.452 ' CZ ' ' HE3' ' A' ' 106' ' ' LYS . 48.2 m-85 -68.01 -34.18 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.542 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.45 HD22 ' SD ' ' A' ' 108' ' ' MET . 7.7 tt -64.3 -37.33 87.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.06 -178.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 112' ' ' ARG . 26.6 ttt180 -80.77 -25.22 38.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.134 0.492 . . . . 0.0 110.757 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -95.53 18.94 11.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.307 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.57 ' HA ' HD13 ' A' ' 120' ' ' LEU . 25.9 t90 -78.36 137.29 37.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.768 -175.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -145.0 -157.12 0.76 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.16 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -73.28 62.07 1.81 Allowed Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 172.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.403 ' HB ' HD12 ' A' ' 120' ' ' LEU . 11.7 m -132.46 103.94 6.44 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -174.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -73.81 -19.92 60.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.922 0.391 . . . . 0.0 110.839 -176.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.66 -17.33 68.91 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.971 176.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.57 HD13 ' HA ' ' A' ' 114' ' ' TRP . 47.1 mt -73.83 -13.39 60.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 0.0 111.3 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 121' ' ' LEU . 3.6 mm? -78.81 -13.61 59.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.376 0.608 . . . . 0.0 109.473 175.317 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -91.66 -29.47 16.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.8 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 49.6 p -81.07 -37.82 28.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.988 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.94 135.79 55.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.047 176.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.607 ' HB2' HD21 ' A' ' 107' ' ' ASN . 1.0 OUTLIER -92.25 77.24 5.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.623 0.725 . . . . 0.0 109.603 178.042 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 14.3 mt -82.22 123.57 29.14 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.834 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.524 HD12 ' HG3' ' A' ' 135' ' ' GLN . 16.6 pt -123.42 -175.55 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.599 -175.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.58 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 98.0 mtt180 -96.44 123.87 40.24 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.688 HD12 ' HB2' ' A' ' 99' ' ' CYS . 21.9 mt -120.77 113.85 41.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 121.444 0.64 . . . . 0.0 110.006 176.263 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -99.35 145.96 26.79 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.39 -171.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.6 t70 58.31 -87.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.4 -1.273 . . . . 0.0 112.203 174.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.611 ' HB3' ' HD3' ' A' ' 48' ' ' ARG . 90.5 mttt -138.73 79.87 1.76 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.196 0.522 . . . . 0.0 111.714 -176.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 74.9 13.9 82.09 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.549 -0.75 . . . . 0.0 113.294 173.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 129' ' ' ILE . 38.5 mt-10 -90.26 134.87 34.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -177.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.524 ' HG3' HD12 ' A' ' 127' ' ' ILE . 49.8 tt0 -87.37 129.44 35.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.351 0.595 . . . . 0.0 110.939 -174.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.58 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 11.0 t -103.72 135.99 38.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.399 177.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.306 0.575 . . . . 0.0 110.779 179.151 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.0 t . . . . . 0 CA--C 1.522 -0.121 0 CA-C-O 120.89 0.376 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.564 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 42.2 m80 -66.0 -11.79 50.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.438 177.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.01 -47.96 40.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.425 HD21 HD11 ' A' ' 121' ' ' LEU . 7.5 mp -72.3 -36.97 69.08 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.464 177.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.564 ' HB3' ' HA ' ' A' ' 19' ' ' HIS . . . -56.77 -29.67 62.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.403 174.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.486 ' HD3' ' CD1' ' A' ' 51' ' ' ILE . 33.7 ttm180 -70.8 -40.27 72.64 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.4 t -60.43 -43.19 93.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.701 174.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 55.0 tttm -57.9 -47.34 83.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.526 175.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.446 ' O ' HG23 ' A' ' 30' ' ' VAL . 77.8 t80 -57.56 -49.06 77.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.518 ' O ' HG23 ' A' ' 31' ' ' VAL . 53.7 mtt -57.89 -42.54 84.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.553 177.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -59.66 -52.62 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.328 176.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -57.66 -46.95 83.57 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.895 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.479 HG12 ' HB2' ' A' ' 36' ' ' PHE . 73.0 t -59.17 -46.24 92.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 27' ' ' MET . 50.2 t -69.42 -32.23 52.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.056 0.455 . . . . 0.0 110.947 -177.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -88.09 -7.99 56.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.121 0.486 . . . . 0.0 110.912 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 18.7 t -97.47 153.11 18.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.377 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.77 -10.09 11.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.433 HG22 ' CD2' ' A' ' 36' ' ' PHE . 28.0 m -53.26 -46.02 69.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.644 175.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.479 ' HB2' HG12 ' A' ' 30' ' ' VAL . 19.2 m-85 -143.05 14.4 1.88 Allowed 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 33' ' ' SER . 37.8 ttpt -68.03 -13.29 62.07 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.155 0.502 . . . . 0.0 110.664 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.91 -18.33 72.44 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.764 -0.731 . . . . 0.0 111.887 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -100.18 136.0 20.19 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.91 -67.95 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.595 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 105' ' ' ALA . 40.3 mm -136.41 152.73 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.674 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 24.2 m-85 -89.68 -167.14 1.77 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.678 0.275 . . . . 0.0 110.799 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.863 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 6.4 m-20 -143.17 -178.23 5.74 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -177.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.41 ' O ' ' HB ' ' A' ' 47' ' ' THR . 17.1 m170 -69.24 -23.27 63.84 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.02 75.39 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.346 172.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 54.7 m-70 -69.43 -23.46 63.69 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.154 175.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.415 ' O ' HG12 ' A' ' 51' ' ' ILE . 90.7 m -65.68 -53.34 42.38 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 169.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 1.053 ' HG3' ' HB3' ' A' ' 132' ' ' LYS . 59.0 ttt180 -50.41 -47.87 56.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.464 174.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.497 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 32.2 mt-10 -57.46 -58.5 8.0 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.992 177.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -67.5 -41.03 85.13 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -174.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.486 ' CD1' ' HD3' ' A' ' 23' ' ' ARG . 41.5 mm -64.46 -36.06 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.804 0.335 . . . . 0.0 110.453 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -61.96 -46.39 89.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.159 174.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.2 m -64.9 -29.6 70.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.021 0.439 . . . . 0.0 111.017 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -66.78 -42.89 85.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.96 0.41 . . . . 0.0 110.27 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.5 mt -74.6 -32.91 30.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.308 0.575 . . . . 0.0 110.223 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.75 -31.27 71.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.366 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -59.17 -38.38 79.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.48 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -77.52 -33.99 54.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.954 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.6 -34.11 72.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.023 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 90.8 m -63.93 -38.58 91.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.071 176.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -69.68 -40.0 76.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.539 0.685 . . . . 0.0 109.22 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.548 ' HA ' HD23 ' A' ' 82' ' ' LEU . 58.9 tp -61.85 -42.05 98.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.688 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -67.39 -31.82 72.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.928 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -67.54 -44.49 78.18 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.419 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.218 0.532 . . . . 0.0 109.565 175.878 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo . . . . . 0 N--CA 1.463 -0.301 0 CA-C-O 120.658 0.191 . . . . 0.0 112.122 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.1 m 55.34 -87.88 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.793 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -69.27 -29.24 67.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.262 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.95 -31.49 72.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.193 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -66.39 -47.68 72.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.314 0.578 . . . . 0.0 109.743 177.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.1 t -67.21 -35.76 74.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.287 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.44 -41.61 84.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.362 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 62' ' ' LEU . 36.3 tp -66.8 -36.55 82.64 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 175.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -60.78 -43.58 97.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.162 174.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -65.59 -33.77 76.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -40.82 75.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.335 0.588 . . . . 0.0 109.433 177.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.453 ' HD2' HD22 ' A' ' 62' ' ' LEU . 27.8 ttt-85 -57.26 -53.99 51.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.702 173.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.511 ' HA ' HD12 ' A' ' 90' ' ' LEU . 1.3 m-20 -63.71 -33.01 74.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.314 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.07 -49.41 76.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.719 0.295 . . . . 0.0 110.651 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -67.02 -30.11 70.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.233 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 87' ' ' ASP . 95.5 mt -65.5 -39.32 91.73 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.499 175.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -67.92 -38.35 82.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.308 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -69.48 -33.52 73.0 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.587 ' HD1' ' HB2' ' A' ' 97' ' ' PHE . 1.6 t80 -66.11 -36.37 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.734 175.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -75.65 -13.18 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.948 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.25 -16.37 16.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.591 177.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.03 90.41 0.9 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.988 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.587 ' HB2' ' HD1' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -76.47 138.75 40.49 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -179.436 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.4 tp -80.21 97.11 6.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.125 0.488 . . . . 0.0 110.742 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.725 ' HB2' HD12 ' A' ' 129' ' ' ILE . 73.4 m -128.06 152.38 77.47 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.926 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -80.17 151.27 20.65 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 121.877 1.718 . . . . 0.0 111.729 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.17 102.1 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 174.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.674 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 13.8 tp -79.23 5.87 11.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.182 -172.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.863 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 7.3 p -113.27 6.04 17.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.494 -177.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -95.55 124.43 39.57 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.095 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.451 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -67.17 -45.69 76.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.776 -175.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -69.0 -43.13 75.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.788 0.328 . . . . 0.0 110.672 -176.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.56 HD22 ' HA ' ' A' ' 124' ' ' LEU . 10.8 m120 -73.36 -23.15 60.17 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.725 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.535 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 29.2 ttm -75.85 -27.07 57.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 171.061 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -70.03 -42.55 72.79 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 173.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -60.76 -39.14 87.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.912 171.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.457 HD21 ' HB3' ' A' ' 27' ' ' MET . 4.0 tp -60.0 -45.8 91.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.049 176.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 108' ' ' MET . 74.5 mtt180 -60.27 -33.6 72.54 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.304 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -99.66 18.31 18.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.938 -175.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.699 ' HA ' HD13 ' A' ' 120' ' ' LEU . 24.1 t90 -68.93 108.8 3.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.356 0.598 . . . . 0.0 110.09 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -86.12 18.06 3.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.341 -174.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.23 47.19 24.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.449 -0.881 . . . . 0.0 111.09 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.604 HG23 ' HB2' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -120.65 142.84 49.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.923 0.392 . . . . 0.0 110.959 -175.35 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -80.64 -23.49 39.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.963 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -72.89 -26.92 69.96 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.149 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.699 HD13 ' HA ' ' A' ' 114' ' ' TRP . 2.9 tt -73.94 -20.16 60.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.232 0.539 . . . . 0.0 109.777 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.425 HD11 HD21 ' A' ' 21' ' ' LEU . 97.4 mt -63.95 -29.98 71.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.051 0.453 . . . . 0.0 110.328 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -73.75 -21.78 60.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 70.0 p -94.98 2.47 55.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.128 0.49 . . . . 0.0 110.511 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.56 ' HA ' HD22 ' A' ' 107' ' ' ASN . 81.6 mt -103.61 143.17 33.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.359 177.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -80.48 73.15 7.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.19 0.519 . . . . 0.0 109.753 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.3 mt -83.89 105.15 14.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.358 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.519 HD12 ' HG3' ' A' ' 135' ' ' GLN . 11.1 pt -109.04 175.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.819 -173.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -96.85 117.54 31.32 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.725 HD12 ' HB2' ' A' ' 99' ' ' CYS . 55.9 mt -115.49 126.64 73.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.226 0.536 . . . . 0.0 110.807 -177.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.438 ' HA ' ' O ' ' A' ' 93' ' ' PHE . 40.8 t30 -108.74 166.32 10.89 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.212 -176.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 132' ' ' LYS . 19.1 t70 60.32 -95.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.897 0.748 . . . . 0.0 111.025 173.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 1.053 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . 95.1 mttt -156.36 86.47 1.01 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.75 21.01 54.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.631 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -100.56 106.42 17.94 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.197 -0.298 . . . . 0.0 110.197 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.519 ' HG3' HD12 ' A' ' 127' ' ' ILE . 53.9 tt0 -68.67 124.15 22.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.013 0.435 . . . . 0.0 110.929 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.0 t -92.51 93.66 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.87 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.229 -177.526 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.8 p . . . . . 0 CA--C 1.527 0.079 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -58.85 -30.29 67.6 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.187 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.438 ' HB3' HD12 ' A' ' 21' ' ' LEU . 29.8 tt0 -71.09 -49.7 41.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.414 -177.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 21' ' ' LEU . 4.4 mp -81.01 -11.33 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.532 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.25 -38.57 77.14 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.516 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -60.85 -44.98 96.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 110.239 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.9 t -68.72 -42.64 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.015 -178.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.6 -38.26 90.41 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.88 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -56.51 -48.41 77.26 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 175.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.438 ' O ' HG22 ' A' ' 31' ' ' VAL . 64.9 mtt -59.62 -43.74 93.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.593 177.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -59.03 -54.11 50.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.026 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.75 -39.71 89.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.486 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.474 HG12 ' HB2' ' A' ' 36' ' ' PHE . 53.8 t -68.53 -42.54 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 27' ' ' MET . 34.4 m -77.24 -21.19 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -89.9 -21.46 22.49 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.256 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.544 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 71.7 p -95.66 168.48 10.65 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.11 1.4 11.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.168 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.415 HG22 ' CD2' ' A' ' 36' ' ' PHE . 50.4 m -60.41 -47.51 85.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.832 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.474 ' HB2' HG12 ' A' ' 30' ' ' VAL . 30.0 m-85 -142.12 22.64 2.06 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.171 -0.211 . . . . 0.0 111.519 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 33' ' ' SER . 37.7 ttpt -61.27 -22.78 65.16 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.059 0.457 . . . . 0.0 110.765 177.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.83 -35.93 77.42 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.016 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -116.59 93.93 41.93 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -68.36 -21.25 41.31 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.799 2.332 . . . . 0.0 112.132 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 105' ' ' ALA . 20.3 mm -119.17 153.59 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.561 ' HB3' ' HB2' ' A' ' 46' ' ' HIS . 76.1 m-85 -130.2 -165.51 1.55 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.884 0.374 . . . . 0.0 110.943 -178.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -129.39 168.48 16.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -60.29 -26.09 66.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.687 0.28 . . . . 0.0 110.999 176.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.16 73.35 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.617 0.246 . . . . 0.0 110.647 173.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.593 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 72.6 m80 -76.23 -19.36 58.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.991 178.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.2 m -66.86 -55.0 16.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 169.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -48.94 -52.61 23.72 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.162 172.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.593 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 28.3 mt-10 -50.6 -61.51 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.213 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -72.95 -41.54 64.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 -173.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.76 -47.67 85.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.773 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -65.74 -35.52 80.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.646 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.2 p -73.06 -33.7 65.82 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.857 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -66.11 -34.59 78.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.032 0.444 . . . . 0.0 109.814 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 78.0 mt -72.9 -48.68 43.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.771 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -64.97 -17.44 64.4 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.188 -176.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.3 ttt-85 -56.24 -30.89 62.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.292 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -63.54 -27.91 69.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.552 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.7 -21.46 64.5 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.279 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.4 m -67.94 -34.42 76.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.133 0.492 . . . . 0.0 110.588 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -87.52 -18.34 30.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.285 0.564 . . . . 0.0 109.797 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.418 ' HB2' HD11 ' A' ' 82' ' ' LEU . 56.6 tp -74.79 -31.51 61.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.916 173.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.66 -31.33 72.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.694 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -59.39 -40.02 85.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.149 0.5 . . . . 0.0 110.005 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.399 -179.86 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo . . . . . 0 N--CA 1.454 -0.829 0 CA-C-O 120.713 0.214 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 80' ' ' VAL . 23.8 p -87.63 -75.48 0.41 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.766 0.317 . . . . 0.0 110.733 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -66.85 -32.98 74.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.335 -175.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.6 mmm-85 -65.16 -38.25 89.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.072 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -79.02 -39.86 32.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.725 -176.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.483 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 95.8 t -64.41 -51.13 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.541 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.21 -36.98 78.91 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.418 HD11 ' HB2' ' A' ' 62' ' ' LEU . 1.2 tm? -57.52 -57.27 13.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.519 176.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -60.2 -35.86 76.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.411 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 99.1 mt-30 -61.85 -51.02 69.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.692 -178.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 3.5 ttp180 -70.27 -36.33 74.36 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -177.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 86' ' ' ARG . 37.3 ttt-85 -56.89 -50.61 71.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.457 0.646 . . . . 0.0 109.965 175.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.513 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 25.1 t0 -63.59 -32.77 74.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.513 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -65.46 -39.97 92.63 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.821 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 69.9 mm-40 -55.47 -47.4 76.17 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.138 0.494 . . . . 0.0 110.001 177.009 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 90' ' ' LEU . 4.0 mm? -61.45 -45.86 92.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.364 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 60.0 mttm -60.76 -40.66 93.32 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.784 -179.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.482 ' HG2' ' HB2' ' A' ' 97' ' ' PHE . 42.2 tt0 -60.33 -49.28 78.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.146 -177.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -83.5 -5.15 59.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.062 0.458 . . . . 0.0 110.619 -177.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -86.85 -36.53 18.42 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.29 -31.39 54.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.538 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.2 88.53 1.08 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.834 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.482 ' HB2' ' HG2' ' A' ' 92' ' ' GLU . 53.2 t80 -80.34 151.82 29.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.83 0.347 . . . . 0.0 110.641 -177.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.576 ' HG ' ' HB3' ' A' ' 126' ' ' LEU . 13.4 tp -70.54 100.67 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.16 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.559 ' HB2' HD12 ' A' ' 129' ' ' ILE . 36.7 m -126.55 148.11 63.13 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.186 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.75 154.42 30.44 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.326 2.017 . . . . 0.0 112.217 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -80.28 125.72 30.23 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.551 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 41.5 mt -89.68 0.55 56.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -172.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 64.3 p -102.57 -2.89 27.6 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.834 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -94.57 109.06 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.45 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -66.68 -23.78 66.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.116 -174.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -67.4 -51.39 52.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.294 0.569 . . . . 0.0 109.628 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.58 ' HA ' ' HD2' ' A' ' 110' ' ' PHE . 27.2 m-80 -68.59 -34.23 75.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.25 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 92.3 mmm -64.28 -29.76 70.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.854 0.359 . . . . 0.0 110.302 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -71.06 -43.95 66.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.981 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.58 ' HD2' ' HA ' ' A' ' 107' ' ' ASN . 40.6 m-85 -60.82 -38.91 87.03 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.058 0.456 . . . . 0.0 109.986 175.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -39.52 94.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.001 177.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.2 mtp85 -65.78 -37.84 87.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.036 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -94.73 18.88 10.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.043 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.48 ' HA ' HD13 ' A' ' 120' ' ' LEU . 25.7 t90 -73.8 114.95 12.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.864 0.364 . . . . 0.0 110.463 -177.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -104.09 29.35 6.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.359 0.599 . . . . 0.0 110.474 -176.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 76.2 15.88 81.11 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.121 -175.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.548 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 2.6 m -73.29 122.32 21.79 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.919 -0.641 . . . . 0.0 110.949 -176.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -69.42 -36.55 76.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.882 0.372 . . . . 0.0 110.029 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.73 -29.98 71.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.855 175.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.548 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 10.9 mt -67.4 -21.29 65.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.762 0.315 . . . . 0.0 111.245 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.43 HD11 ' HG ' ' A' ' 21' ' ' LEU . 88.0 mt -75.22 -20.37 59.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.294 0.569 . . . . 0.0 110.025 177.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -91.75 -21.62 20.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.235 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.427 ' OG1' ' HA ' ' A' ' 120' ' ' LEU . 43.4 p -83.12 -23.35 33.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.081 0.467 . . . . 0.0 110.278 175.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 52.2 mt -78.91 136.11 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.849 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -74.78 68.77 1.75 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.451 0.643 . . . . 0.0 109.693 173.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.576 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . 49.1 mt -80.93 111.76 17.7 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.392 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 98' ' ' LEU . 31.3 pt -107.03 -178.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.685 -176.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.604 ' CB ' ' HB ' ' A' ' 136' ' ' VAL . 51.8 mtt180 -96.9 119.82 36.08 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.187 174.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' A' ' 99' ' ' CYS . 66.3 mt -119.91 134.24 64.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.13 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -126.24 152.6 45.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.871 0.367 . . . . 0.0 111.643 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.3 t70 66.16 -71.18 0.09 Allowed 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.844 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -122.93 -80.97 0.63 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.2 0.524 . . . . 0.0 109.728 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.13 38.76 1.23 Allowed Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' A' ' 129' ' ' ILE . 5.2 mm-40 -85.27 151.57 23.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.7 -170.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -91.45 112.33 24.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 -175.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.604 ' HB ' ' CB ' ' A' ' 128' ' ' ARG . 21.7 t -91.78 121.72 42.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 171.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.452 -178.613 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.6 t . . . . . 0 C--O 1.227 -0.118 0 CA-C-O 120.983 0.42 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.07 -16.15 63.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.885 0.374 . . . . 0.0 110.374 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.518 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 16.5 mt-10 -108.63 -66.51 1.04 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.696 -175.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.93 -21.89 65.96 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -172.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.15 -17.69 64.88 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 13.1 mmt180 -63.37 -46.49 86.26 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.7 t -70.15 -35.66 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.174 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 76.9 tttt -61.74 -41.5 97.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.693 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.461 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 86.3 t80 -60.39 -48.15 83.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.915 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.505 ' O ' HG22 ' A' ' 31' ' ' VAL . 63.7 mtt -54.49 -48.71 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.487 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -60.67 -52.96 62.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.272 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -63.22 -42.58 99.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.478 -174.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.5 -39.29 85.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.917 HG23 ' HG3' ' A' ' 112' ' ' ARG . 27.3 m -87.4 -9.83 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 111.304 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 27.1 t-20 -92.94 -34.04 13.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.048 0.451 . . . . 0.0 110.293 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.9 p -85.01 166.5 16.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.75 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.53 1.58 3.91 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -178.086 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 m -52.86 -51.94 59.18 Favored 'General case' 0 N--CA 1.452 -0.375 0 O-C-N 123.571 0.544 . . . . 0.0 109.733 172.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -141.22 22.87 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.558 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 32' ' ' ASN . 28.4 ttpp -76.4 66.78 2.51 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 122.254 1.026 . . . . 0.0 109.047 173.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.02 -33.91 0.02 OUTLIER Glycine 0 C--N 1.311 -0.827 0 CA-C-N 113.347 -1.751 . . . . 0.0 109.779 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 14.9 mm100 -83.48 122.81 77.08 Favored Pre-proline 0 N--CA 1.452 -0.366 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 39' ' ' GLN . 26.8 Cg_exo -61.57 -71.94 0.03 OUTLIER 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.669 2.246 . . . . 0.0 112.936 -175.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.543 ' CD1' ' HA ' ' A' ' 105' ' ' ALA . 45.7 mm -127.76 157.32 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -176.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -110.03 -171.97 1.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.281 0.563 . . . . 0.0 111.816 -176.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -132.7 -167.77 1.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.777 -174.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.587 ' O ' ' HB ' ' A' ' 47' ' ' THR . 10.6 m170 -86.85 -24.12 25.05 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.446 -175.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' A' ' 48' ' ' ARG . . . -68.78 -43.82 74.91 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.226 0.536 . . . . 0.0 109.626 174.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 66.8 m80 -73.26 -14.78 61.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.196 175.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.587 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 51.5 m -68.02 -61.15 1.99 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.917 171.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 5.3 ptp180 -57.24 -35.43 69.71 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.386 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.481 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 18.4 mt-10 -55.53 -59.93 4.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.202 176.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.461 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 13.6 m-85 -72.69 -42.29 64.39 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -176.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 51' ' ' ILE . 10.5 mm -60.72 -51.22 75.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.582 -178.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.78 -30.26 65.35 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.4 -175.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -63.34 -34.52 77.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.03 0.443 . . . . 0.0 110.163 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -67.93 -35.16 77.95 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.8 mt -69.67 -36.17 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 121.466 0.65 . . . . 0.0 109.926 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.03 -26.74 68.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.909 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -46.74 -40.64 13.82 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.178 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.416 ' HB3' ' HB2' ' A' ' 86' ' ' ARG . 19.7 t70 -55.79 -42.68 75.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.029 0.442 . . . . 0.0 110.939 -177.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -66.73 -29.63 69.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.728 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.496 ' HA ' ' OD2' ' A' ' 63' ' ' ASP . 22.0 m -74.99 -33.13 61.81 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.159 0.504 . . . . 0.0 110.74 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -75.01 -30.15 61.04 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 172.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.533 HD11 ' HG3' ' A' ' 79' ' ' GLN . 38.7 tp -70.26 -25.85 63.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.45 176.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.496 ' OD2' ' HA ' ' A' ' 60' ' ' THR . 28.6 m-20 -59.05 -35.86 74.04 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.862 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -60.12 -38.0 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.558 175.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.514 HD12 HD12 ' A' ' 62' ' ' LEU . 84.7 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 120.622 0.249 . . . . 0.0 110.674 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.445 ' HG2' ' HB3' ' A' ' 65' ' ' LEU . 29.4 Cg_exo . . . . . 0 CA--C 1.528 0.195 0 CA-C-O 120.576 0.157 . . . . 0.0 112.395 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.9 t 52.47 -95.01 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.699 0.8 . . . . 0.0 112.407 175.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -61.93 -40.15 94.5 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.825 0.345 . . . . 0.0 110.765 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -63.75 -32.57 74.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.165 0.507 . . . . 0.0 110.233 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.533 ' HG3' HD11 ' A' ' 62' ' ' LEU . 49.8 tt0 -76.73 -45.26 29.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.456 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.525 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 74.4 t -63.95 -45.38 97.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.555 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.78 -40.71 89.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.61 HD12 ' HD2' ' A' ' 85' ' ' ARG . 55.0 tp -69.84 -44.76 69.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.375 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.457 ' HA ' HH12 ' A' ' 86' ' ' ARG . 48.2 tt0 -53.04 -35.54 59.61 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.193 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 95.6 mt-30 -65.49 -26.48 67.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.154 -177.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.61 ' HD2' HD12 ' A' ' 82' ' ' LEU . 75.5 mtt180 -60.26 -52.03 67.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.099 0.476 . . . . 0.0 109.939 178.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.72 HH11 ' HB3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -65.55 -41.0 93.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.724 177.862 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -62.9 -40.73 98.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.114 0.483 . . . . 0.0 110.359 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -64.79 -38.41 90.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.409 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.472 ' O ' ' HD1' ' A' ' 93' ' ' PHE . 45.4 mt-10 -65.37 -42.45 92.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.237 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.429 HD23 ' HG2' ' A' ' 86' ' ' ARG . 3.7 mm? -55.24 -41.65 72.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.789 0.328 . . . . 0.0 110.561 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -70.32 -46.98 63.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.51 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -58.73 -51.9 67.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.937 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.5 ' O ' ' HA ' ' A' ' 130' ' ' ASN . 42.3 m-85 -68.82 -28.46 66.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.644 -177.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -65.58 -33.65 76.41 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.297 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.94 2.52 38.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.97 98.62 1.44 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.233 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -82.94 153.02 25.26 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.4 tp -71.71 101.3 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.955 0.407 . . . . 0.0 110.119 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.471 ' HB2' HD12 ' A' ' 129' ' ' ILE . 85.1 m -128.29 147.79 65.12 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.907 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -75.99 154.29 37.82 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.068 1.845 . . . . 0.0 112.42 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.24 99.7 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 173.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.8 tp -83.23 -1.53 53.34 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.988 -173.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.9 m -113.06 15.9 19.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.514 -176.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -113.99 138.41 50.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.349 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.543 ' HA ' ' CD1' ' A' ' 41' ' ' ILE . . . -76.57 -31.37 57.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.308 -0.405 . . . . 0.0 112.082 -174.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -76.48 -47.31 23.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.001 0.429 . . . . 0.0 109.954 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -59.01 -45.73 89.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.538 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.526 ' HA ' ' HB3' ' A' ' 111' ' ' LEU . 41.6 ttm -69.02 -21.92 64.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -69.68 -40.56 76.31 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.047 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.404 ' HB3' HD21 ' A' ' 120' ' ' LEU . 34.9 m-85 -68.27 -43.42 77.82 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 172.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.526 ' HB3' ' HA ' ' A' ' 108' ' ' MET . 9.5 tt -56.61 -42.79 79.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.432 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.917 ' HG3' HG23 ' A' ' 31' ' ' VAL . 15.9 ttm-85 -69.37 -13.92 62.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 111.158 -176.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -116.96 11.89 14.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.187 0.517 . . . . 0.0 110.516 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.476 ' CZ2' ' HA2' ' A' ' 116' ' ' GLY . 70.5 t90 -69.0 110.01 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.369 178.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -92.75 28.09 2.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.956 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.476 ' HA2' ' CZ2' ' A' ' 114' ' ' TRP . . . 81.25 14.62 78.51 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.375 -0.917 . . . . 0.0 110.98 -174.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.741 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 2.0 m -67.62 113.5 5.48 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.263 -0.469 . . . . 0.0 110.624 -178.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -65.73 -43.17 89.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.27 -24.37 73.48 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.483 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.741 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 4.9 tt -64.7 -24.17 67.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.048 0.451 . . . . 0.0 109.935 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.474 HD23 HD12 ' A' ' 124' ' ' LEU . 96.2 mt -61.13 -22.15 64.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.396 . . . . 0.0 110.956 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -77.9 -20.72 52.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.757 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 34.8 p -89.67 -13.89 35.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.264 0.554 . . . . 0.0 109.812 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.474 HD12 HD23 ' A' ' 121' ' ' LEU . 82.3 mt -86.89 140.65 29.43 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.006 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -81.06 84.54 6.47 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.716 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 35.0 mt -96.17 124.5 40.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.178 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 17.5 pt -126.31 -176.53 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.1 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 128' ' ' ARG . 20.9 mtp180 -96.65 118.49 33.23 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.165 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.471 HD12 ' HB2' ' A' ' 99' ' ' CYS . 48.2 mt -119.4 128.02 75.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 121.065 0.46 . . . . 0.0 110.349 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 1.015 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 21.9 t-20 -68.91 152.77 44.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.908 177.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.536 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 1.8 t70 -33.37 -43.48 0.12 Allowed 'General case' 0 N--CA 1.475 0.798 0 O-C-N 124.694 1.247 . . . . 0.0 113.666 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.536 ' HG3' ' OD2' ' A' ' 131' ' ' ASP . 50.3 mttp -97.45 37.05 1.39 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.963 0.411 . . . . 0.0 111.909 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 63.88 36.6 93.5 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.333 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 1.015 ' HB2' ' HB3' ' A' ' 130' ' ' ASN . 71.3 mm-40 -99.1 137.48 37.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.818 0.342 . . . . 0.0 111.317 -176.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -66.41 119.1 11.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.759 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 37.5 t -121.99 124.31 71.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.947 0.403 . . . . 0.0 110.992 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 C--N 1.322 -0.604 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 170.326 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.931 0.396 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -56.0 -38.52 70.57 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.396 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -94.03 -60.18 1.8 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.032 -175.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.3 mt -69.05 -31.85 70.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.563 -168.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.34 -31.13 68.29 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.982 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.69 ' HD3' HD12 ' A' ' 51' ' ' ILE . 83.8 mtt180 -65.09 -41.37 95.07 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.44 -42.56 84.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.527 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 11.4 tmtt? -58.16 -45.31 87.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.642 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -56.56 -45.82 81.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.455 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.634 ' SD ' HD21 ' A' ' 102' ' ' LEU . 63.0 mtt -62.75 -49.97 72.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 178.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 111' ' ' LEU . 35.1 tt0 -53.33 -48.2 68.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.299 0.571 . . . . 0.0 110.418 177.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.55 -52.93 63.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.813 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.496 HG13 ' HB2' ' A' ' 36' ' ' PHE . 54.9 t -58.25 -42.42 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.2 t -71.0 -32.73 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.091 0.472 . . . . 0.0 111.411 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -103.16 7.81 38.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.547 -174.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.654 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 35.5 t -122.82 148.05 45.84 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -63.4 1.69 0.5 Allowed 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.5 m -56.6 -54.13 49.61 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.682 0.277 . . . . 0.0 110.725 175.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.496 ' HB2' HG13 ' A' ' 30' ' ' VAL . 71.2 m-85 -141.16 29.22 1.84 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.037 0.446 . . . . 0.0 110.116 176.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.654 ' HB2' ' O ' ' A' ' 33' ' ' SER . 61.0 tttm -66.74 -11.8 56.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.393 -175.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.77 -18.52 72.38 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.557 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -116.34 94.42 42.52 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.7 -29.01 36.6 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.825 2.35 . . . . 0.0 112.41 -177.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.474 HD13 ' HG3' ' A' ' 108' ' ' MET . 21.6 mm -122.08 136.9 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.032 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -114.16 156.35 24.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.056 0.455 . . . . 0.0 110.599 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -93.12 179.39 5.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.463 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.564 ' O ' ' HB ' ' A' ' 47' ' ' THR . 18.3 m-70 -77.05 -24.09 52.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.885 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.64 -39.47 52.21 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -64.98 -23.63 67.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.466 172.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.564 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 99.9 m -61.24 -57.51 12.1 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 171.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.476 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 20.2 ttt180 -55.83 -40.23 72.51 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.335 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.14 -58.44 8.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.277 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -65.94 -36.32 83.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.872 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.69 HD12 ' HD3' ' A' ' 23' ' ' ARG . 23.2 mm -62.99 -46.65 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.987 176.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -64.38 -36.47 84.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.724 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 34.9 t -56.68 -46.39 81.18 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.023 0.439 . . . . 0.0 110.307 177.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -61.86 -44.77 96.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.675 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.674 HG22 ' HE ' ' A' ' 86' ' ' ARG . 36.4 mt -69.62 -33.68 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.69 -30.76 69.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.927 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 53' ' ' SER . 66.3 mtt-85 -78.07 -17.12 57.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.668 -177.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.14 -38.24 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 172.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.411 ' HB2' ' HD2' ' A' ' 86' ' ' ARG . 17.7 t70 -67.27 -20.43 65.64 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.252 177.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.41 ' OG1' ' HA ' ' A' ' 57' ' ' ARG . 24.5 m -64.29 -29.55 70.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.48 177.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -83.81 -29.75 27.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.542 0.687 . . . . 0.0 109.155 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 37.3 tp -67.34 -48.12 68.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.584 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.73 -21.07 61.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -61.94 -41.42 97.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 174.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.7 mt . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.001 174.631 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.887 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 37.0 Cg_exo . . . . . 0 C--O 1.233 0.255 0 CA-C-O 120.717 0.215 . . . . 0.0 111.794 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.0 p -59.17 -31.74 69.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.842 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -86.98 -51.58 5.94 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.856 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.887 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 82.7 mtt180 -59.08 -43.29 91.8 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.2 -47.14 85.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 0.0 110.554 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.44 -43.05 87.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.629 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.9 tp -63.09 -42.48 99.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.705 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.4 tp -67.2 -41.18 86.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.917 0.389 . . . . 0.0 110.221 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -57.96 -48.93 78.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.914 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -71.95 -24.63 61.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.995 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.6 ttp85 -65.94 -46.95 76.3 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.674 ' HE ' HG22 ' A' ' 55' ' ' ILE . 60.3 ttt180 -67.94 -34.61 76.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.854 176.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -55.73 -47.91 76.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.274 175.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -63.89 -43.33 96.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.475 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -57.34 -45.14 84.63 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.304 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.37 -47.56 70.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.072 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.23 -36.71 82.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.861 0.362 . . . . 0.0 110.656 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.32 -40.51 89.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.302 0.572 . . . . 0.0 109.906 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.445 ' CE1' HG21 ' A' ' 51' ' ' ILE . 33.0 t80 -72.57 -28.19 62.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.817 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -74.96 -37.89 61.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.593 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.28 -39.79 28.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.016 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 145.43 112.24 0.77 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.804 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -116.58 154.49 30.39 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.17 -0.308 . . . . 0.0 110.17 -178.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.1 tp -70.12 98.96 1.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.349 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.514 ' HB2' HD12 ' A' ' 129' ' ' ILE . 38.6 m -128.15 141.61 41.85 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.703 ' HA ' ' HA ' ' A' ' 126' ' ' LEU . 64.1 Cg_endo -75.29 147.33 32.71 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.246 1.964 . . . . 0.0 112.853 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -71.02 114.68 9.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.27 176.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.634 HD21 ' SD ' ' A' ' 27' ' ' MET . 44.0 mt -87.19 -16.83 34.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.807 -177.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.7 p -89.16 21.77 3.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.281 0.562 . . . . 0.0 111.152 -172.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -127.52 125.87 41.18 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.547 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.58 -28.06 62.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.002 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 32.2 mttp -69.8 -36.59 75.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.528 ' OD1' HD23 ' A' ' 124' ' ' LEU . 52.1 t30 -71.74 -37.52 70.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.406 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.529 ' SD ' HD12 ' A' ' 111' ' ' LEU . 20.0 mmt -60.45 -32.89 71.81 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.895 0.378 . . . . 0.0 110.502 173.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.491 ' HB3' ' O ' ' A' ' 106' ' ' LYS . 38.4 tt0 -59.35 -48.28 82.22 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.479 ' HB3' ' HG ' ' A' ' 124' ' ' LEU . 59.3 m-85 -59.26 -33.6 71.24 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.514 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.529 HD12 ' SD ' ' A' ' 108' ' ' MET . 19.6 mt -63.11 -32.97 74.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.95 0.405 . . . . 0.0 110.794 175.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -80.91 -1.81 45.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.399 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -105.48 -30.48 9.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.768 0.318 . . . . 0.0 110.693 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.723 ' HA ' HD13 ' A' ' 120' ' ' LEU . 26.6 t90 -64.97 127.31 31.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.164 0.507 . . . . 0.0 110.751 -178.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -126.92 9.99 6.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.569 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 119.96 -14.72 10.4 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.351 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.2 m -57.31 123.66 16.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 111.064 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.544 ' HA ' HD23 ' A' ' 121' ' ' LEU . 85.6 m-85 -71.51 -33.35 69.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.529 -174.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.26 -18.34 69.23 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.546 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.723 HD13 ' HA ' ' A' ' 114' ' ' TRP . 2.3 tt -79.08 -11.61 59.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.087 0.47 . . . . 0.0 110.105 -177.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 118' ' ' PHE . 3.8 mm? -75.57 -5.55 45.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.212 0.529 . . . . 0.0 110.431 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -99.92 -23.2 15.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.98 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 81.7 p -87.32 -33.36 19.23 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.445 0.64 . . . . 0.0 109.42 176.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.528 HD23 ' OD1' ' A' ' 107' ' ' ASN . 0.7 OUTLIER -70.88 131.98 44.57 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.423 169.399 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 100' ' ' PRO . 14.0 mtm180 -79.34 80.16 5.73 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.05 -177.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.703 ' HA ' ' HA ' ' A' ' 100' ' ' PRO . 8.8 mp -94.87 117.09 29.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 171.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.648 HG13 HG13 ' A' ' 129' ' ' ILE . 29.3 pt -112.63 -171.2 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.384 -177.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 128' ' ' ARG . 29.1 mtm-85 -96.74 103.6 15.53 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.648 HG13 HG13 ' A' ' 127' ' ' ILE . 35.6 mt -113.92 130.93 67.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.146 -174.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -118.63 144.11 46.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.263 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 46.04 -104.29 0.09 Allowed 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.476 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 39.4 tttm -86.53 50.53 2.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.556 0.693 . . . . 0.0 111.13 -169.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.46 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 62.29 25.89 67.18 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.961 175.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -94.56 137.04 34.17 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.013 0.406 . . . . 0.0 110.34 -174.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -77.32 125.38 29.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.198 0.523 . . . . 0.0 110.219 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 17.3 t -82.89 102.23 8.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.245 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 178.96 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.413 HG12 ' HB2' ' A' ' 22' ' ' ALA . 25.8 t . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 121.532 0.682 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -58.5 -38.95 78.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.704 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -85.44 -51.85 6.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.562 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.13 -35.66 81.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.347 -172.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.413 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -60.9 -32.27 71.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.838 0.351 . . . . 0.0 111.466 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -77.03 -27.53 54.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.507 -177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.68 -40.46 84.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.949 174.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.685 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 15.7 tttm -72.15 -28.97 63.59 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.617 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.481 ' O ' HG23 ' A' ' 30' ' ' VAL . 85.8 t80 -61.77 -48.04 82.47 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 174.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.686 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.7 mtt -56.13 -48.33 76.44 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 174.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.539 ' HG3' ' HA ' ' A' ' 112' ' ' ARG . 31.4 tt0 -50.71 -56.81 10.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.39 177.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -45.96 82.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.171 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.592 HG12 ' HB2' ' A' ' 36' ' ' PHE . 94.2 t -63.93 -44.64 98.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -177.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 27' ' ' MET . 12.4 t -75.01 -31.8 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.105 0.479 . . . . 0.0 111.186 -177.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -86.38 -29.79 22.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.964 0.412 . . . . 0.0 111.027 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 40.7 t -85.67 164.75 17.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.057 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.4 -5.82 12.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.052 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.2 m -50.45 -53.08 32.29 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.836 176.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.592 ' HB2' HG12 ' A' ' 30' ' ' VAL . 14.9 m-85 -142.79 23.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.785 177.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' ' 33' ' ' SER . 7.2 ttpm? -65.65 -12.15 50.98 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.19 0.519 . . . . 0.0 110.437 178.042 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.94 -22.05 76.97 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.764 173.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -116.56 109.92 43.19 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.99 -45.74 30.29 Favored 'Trans proline' 0 N--CA 1.471 0.174 0 C-N-CA 122.813 2.342 . . . . 0.0 113.228 -175.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.597 HD11 ' HA ' ' A' ' 105' ' ' ALA . 16.8 mt -137.84 151.64 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -178.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -95.07 -179.52 4.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.595 0.712 . . . . 0.0 112.054 -174.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.478 ' H ' ' HB2' ' A' ' 46' ' ' HIS . 2.2 m-20 -95.24 166.11 12.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.814 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.497 ' O ' ' HB ' ' A' ' 47' ' ' THR . 11.5 m-70 -71.95 -29.61 64.45 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 171.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.89 -27.14 66.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.498 172.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.478 ' HB2' ' H ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -79.35 -21.88 45.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.109 176.188 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.497 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 97.4 m -60.57 -60.24 4.12 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 172.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.783 HH11 ' HB3' ' A' ' 132' ' ' LYS . 19.2 ptt180 -60.45 -32.15 71.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.607 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.39 -56.26 22.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.244 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -69.52 -49.99 49.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.983 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.9 mm -62.31 -48.44 88.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.568 -174.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -69.53 -42.52 74.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.201 -176.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.2 m -60.99 -33.58 73.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.748 0.309 . . . . 0.0 110.949 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -65.9 -37.22 85.52 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.45 ' HA ' ' OE2' ' A' ' 89' ' ' GLU . 69.4 mt -69.52 -42.43 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.354 0.597 . . . . 0.0 110.284 175.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.44 -18.68 65.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.611 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 57' ' ' ARG . 10.3 ttt180 -63.1 -23.8 67.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.666 0.269 . . . . 0.0 110.96 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.461 ' CG ' HH21 ' A' ' 85' ' ' ARG . 21.7 t0 -63.47 -22.13 66.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.253 0.549 . . . . 0.0 110.035 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.11 -25.34 62.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.012 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.6 m -78.26 -36.17 47.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.173 176.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.5 -35.3 75.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.49 HD11 ' HG3' ' A' ' 79' ' ' GLN . 59.5 tp -69.72 -27.31 64.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.517 174.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.72 -29.2 70.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.326 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -59.91 -37.78 80.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.943 173.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.404 HD22 ' HG2' ' A' ' 75' ' ' PRO . 90.3 mt . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.36 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.404 ' HG2' HD22 ' A' ' 65' ' ' LEU . 23.5 Cg_exo . . . . . 0 CA--C 1.529 0.251 0 N-CA-C 111.439 -0.254 . . . . 0.0 111.439 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.1 m -48.66 -48.49 39.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.532 -173.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -89.51 -46.06 8.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.45 -27.43 65.24 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -172.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.49 ' HG3' HD11 ' A' ' 62' ' ' LEU . 53.1 tt0 -71.96 -39.7 69.17 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.72 -35.65 66.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.903 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.32 -42.89 99.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.274 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 1.2 tm? -58.19 -49.65 76.31 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 174.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -58.24 -39.93 80.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.125 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.26 -29.05 65.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.298 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.461 HH21 ' CG ' ' A' ' 58' ' ' ASP . 3.5 tmm_? -68.1 -49.4 61.45 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 174.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -53.7 -42.87 68.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.225 174.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.33 -48.67 72.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.274 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.723 ' HA ' ' HD2' ' A' ' 91' ' ' LYS . 48.9 tt0 -61.77 -36.35 80.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.411 . . . . 0.0 110.869 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.45 ' OE2' ' HA ' ' A' ' 55' ' ' ILE . 22.1 tt0 -65.65 -44.46 86.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.5 178.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -64.9 -26.95 68.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.256 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.723 ' HD2' ' HA ' ' A' ' 88' ' ' GLN . 62.4 mttt -65.51 -52.5 52.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.645 174.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.51 -37.48 87.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.785 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.82 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 49.2 t80 -66.72 -53.06 37.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.144 177.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.748 ' HA ' ' OD1' ' A' ' 130' ' ' ASN . 1.2 ttpm? -81.64 10.55 5.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.687 -171.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -109.5 10.77 25.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.226 0.536 . . . . 0.0 109.842 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.13 80.28 1.49 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.314 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.82 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 60.7 t80 -75.62 145.34 41.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.804 0.335 . . . . 0.0 110.688 -175.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.7 tp -74.37 96.09 2.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.929 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 52.4 t -128.51 142.84 46.1 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.494 -175.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.77 149.97 89.62 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.314 2.01 . . . . 0.0 111.022 172.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.31 -28.67 69.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.366 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.458 HD21 ' SD ' ' A' ' 27' ' ' MET . 81.7 mt 56.53 36.97 28.41 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.115 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.2 m -135.27 -33.48 0.9 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.665 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.66 131.69 35.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.707 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.597 ' HA ' HD11 ' A' ' 41' ' ' ILE . . . -72.85 -34.61 66.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.208 -175.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -75.42 -33.76 60.97 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.783 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -64.76 -35.88 82.49 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 170.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -36.22 83.13 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.022 175.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 105' ' ' ALA . 43.2 mm-40 -64.58 -54.84 25.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.381 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -58.9 -32.71 69.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.472 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.87 -43.87 97.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.441 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.539 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 66.4 mtm180 -75.91 -18.72 59.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.46 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -105.47 18.24 22.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.981 0.419 . . . . 0.0 111.184 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.685 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 60.7 t90 -81.03 103.13 10.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.254 0.55 . . . . 0.0 110.458 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -88.64 10.18 21.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.705 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 109.7 -5.51 31.07 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.047 176.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.867 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 6.3 m -60.79 127.0 29.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.709 0.29 . . . . 0.0 111.31 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -70.82 -37.43 73.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.327 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -69.07 -15.67 69.88 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.535 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.867 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 3.3 tt -71.76 -25.68 62.14 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.76 -20.28 66.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.399 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -76.67 -17.77 58.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.656 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 42.6 p -94.16 -8.36 39.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.462 0.649 . . . . 0.0 109.971 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 64.5 mt -98.31 130.48 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.287 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.4 mtt85 -78.5 78.74 4.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.918 0.866 . . . . 0.0 110.098 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 35.4 mt -89.14 107.03 18.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.169 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.521 HD12 ' HG3' ' A' ' 135' ' ' GLN . 18.4 pt -106.95 -176.2 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.832 -174.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -96.77 111.05 23.39 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.855 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 48.6 mt -116.01 133.89 61.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.748 ' OD1' ' HA ' ' A' ' 94' ' ' LYS . 60.0 t30 -137.68 162.4 33.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.985 0.421 . . . . 0.0 111.42 -174.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.8 t70 70.87 -87.35 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 114.464 -1.244 . . . . 0.0 112.18 170.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.783 ' HB3' HH11 ' A' ' 48' ' ' ARG . 9.0 mtmp? -135.57 22.79 3.4 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.659 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 109.92 30.72 3.35 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.252 -0.975 . . . . 0.0 113.38 172.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -106.58 144.75 32.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.998 0.428 . . . . 0.0 110.901 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.521 ' HG3' HD12 ' A' ' 127' ' ' ILE . 53.8 tt0 -78.08 120.25 22.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.841 -176.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.6 t -96.8 107.62 20.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.883 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.749 179.719 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.504 ' HA ' ' HB2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.513 0 N-CA-C 111.348 0.129 . . . . 0.0 111.348 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -83.68 -26.74 29.56 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 173.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -84.79 -37.59 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 172.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 84.8 mt -67.69 -27.84 67.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.899 174.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 18' ' ' VAL . . . -62.11 -21.99 65.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.291 176.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -69.91 -37.66 76.03 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.9 t -68.63 -39.36 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.566 173.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -65.3 -33.54 76.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.823 177.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.447 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.5 t80 -59.54 -45.59 91.35 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.646 ' O ' HG23 ' A' ' 31' ' ' VAL . 61.3 mtt -57.49 -47.9 80.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.688 174.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -52.61 -54.09 37.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.051 176.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.09 -47.48 71.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.558 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.517 HG12 ' HB2' ' A' ' 36' ' ' PHE . 77.4 t -62.72 -42.28 95.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 -177.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 27' ' ' MET . 11.8 t -72.22 -15.86 18.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 121.257 0.551 . . . . 0.0 110.63 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -105.04 -1.58 25.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.744 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 t -105.1 164.89 11.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.082 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -65.7 -20.76 66.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.704 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 m -47.78 -48.72 30.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.517 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.517 ' HB2' HG12 ' A' ' 30' ' ' VAL . 22.7 m-85 -141.3 38.37 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.062 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -58.11 -12.36 3.4 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.03 -22.31 39.01 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.83 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -116.65 107.22 46.95 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.917 0.359 . . . . 0.0 111.409 -178.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.48 -28.57 10.04 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.579 2.186 . . . . 0.0 111.302 174.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 105' ' ' ALA . 14.2 mm -121.92 150.73 25.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.426 -178.103 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.798 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 67.5 m-85 -122.05 -169.89 1.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.164 0.507 . . . . 0.0 111.324 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -122.7 163.79 19.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.296 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.869 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 50.6 m170 -61.38 -23.56 65.87 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.85 74.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.203 0.525 . . . . 0.0 110.19 173.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.466 ' HA ' ' HB3' ' A' ' 49' ' ' GLU . 89.8 m-70 -81.69 -16.48 51.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.082 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.525 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 56.0 m -60.85 -59.18 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 171.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.556 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 23.2 ttt180 -57.98 -39.22 77.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.2 177.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 46' ' ' HIS . 41.8 tt0 -53.46 -55.27 26.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.651 176.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -68.68 -44.77 73.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.758 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 47' ' ' THR . 42.3 mm -62.73 -48.66 87.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.147 -177.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -65.53 -35.44 80.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.843 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.5 m -63.12 -35.66 81.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 110.993 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -72.02 -35.51 69.43 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.504 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 71.0 mt -68.05 -36.27 74.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.15 0.5 . . . . 0.0 110.189 176.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -69.32 -23.01 63.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.416 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -65.76 -12.24 52.35 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.507 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.504 ' HB3' ' O ' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -57.3 -46.08 83.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.984 170.819 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.466 ' HA ' ' HB3' ' A' ' 62' ' ' LEU . 5.9 t70 -68.23 -21.95 64.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.104 -177.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.6 m -65.72 -47.72 74.41 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.339 175.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.43 -33.83 63.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.073 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 59' ' ' ASP . 54.8 tp -65.43 -31.46 72.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.405 176.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -64.91 -36.69 85.17 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.444 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -62.26 -40.88 97.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.275 175.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' ' 79' ' ' GLN . 80.6 mt . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.74 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.495 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 12.7 Cg_exo . . . . . 0 N--CA 1.457 -0.637 0 N-CA-C 111.313 -0.303 . . . . 0.0 111.313 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.7 t -54.65 -43.46 72.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.961 0.41 . . . . 0.0 110.544 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -66.34 -23.48 66.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.817 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.495 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 17.3 mtm180 -98.61 -45.78 5.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 111.188 -179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.522 ' HA ' HD13 ' A' ' 65' ' ' LEU . 51.8 tt0 -69.86 -37.13 76.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.807 0.337 . . . . 0.0 110.813 -175.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.3 t -72.86 -30.07 31.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.062 0.458 . . . . 0.0 109.91 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.441 ' HA ' ' HG2' ' A' ' 84' ' ' GLN . 54.6 tp -68.6 -33.93 74.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.207 177.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -64.75 -45.98 84.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -60.61 -19.05 56.76 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.254 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.441 ' HG2' ' HA ' ' A' ' 81' ' ' LEU . 29.1 mm-40 -60.18 -35.73 76.03 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.755 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.4 mtm105 -65.16 -48.52 73.21 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.07 0.462 . . . . 0.0 110.062 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -50.05 -55.62 14.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.013 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.44 -37.96 74.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.761 -177.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.463 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 10.2 tm0? -71.29 -44.5 65.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -176.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -70.93 -25.55 62.8 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.955 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.1 -35.5 69.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.977 0.417 . . . . 0.0 109.96 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 88' ' ' GLN . 43.0 tttm -60.46 -50.12 74.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.372 174.09 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.83 -28.7 67.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.193 178.102 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.11 -39.65 90.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.258 0.551 . . . . 0.0 110.157 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -77.51 -35.79 53.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.104 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.42 -25.53 33.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.873 -174.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 117.71 108.78 2.47 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.596 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.439 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 49.1 t80 -95.59 145.58 25.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -176.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.442 ' HG ' ' HB3' ' A' ' 126' ' ' LEU . 21.0 tp -75.5 103.04 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.529 -178.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.804 ' HB2' HD12 ' A' ' 129' ' ' ILE . 12.7 m -128.32 150.4 74.08 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.381 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.97 150.88 49.58 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.054 1.836 . . . . 0.0 111.034 174.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -71.26 107.38 4.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.286 0.565 . . . . 0.0 109.635 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.798 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 12.0 tp -74.78 3.83 7.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.211 -172.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 62.5 m -121.79 11.0 10.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.551 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 108' ' ' MET . 13.7 t70 -92.65 103.53 15.9 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.319 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.611 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -56.25 -35.97 68.0 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -168.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.582 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 38.1 tttm -88.98 -25.63 21.92 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 119.769 -0.772 . . . . 0.0 111.156 -176.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.459 ' HB2' ' OD1' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -73.48 -33.08 64.66 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 172.731 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 104' ' ' ASP . 94.9 mmm -67.37 -26.04 66.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.83 172.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.582 ' HB3' ' O ' ' A' ' 106' ' ' LYS . 34.8 tt0 -64.03 -49.82 70.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.828 173.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -64.47 -36.83 85.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.081 0.467 . . . . 0.0 110.159 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.427 ' HB3' ' HA ' ' A' ' 108' ' ' MET . 9.0 tt -66.97 -40.71 87.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.951 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.594 ' HE ' HG12 ' A' ' 31' ' ' VAL . 27.2 ttt180 -76.62 -27.3 55.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.76 0.314 . . . . 0.0 110.978 -177.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -105.19 20.76 18.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.186 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -62.4 110.22 1.59 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.51 0.671 . . . . 0.0 110.374 -176.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -76.68 -11.19 59.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.593 -177.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 91.32 58.29 1.47 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.417 -176.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.7 t -140.25 149.73 43.22 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -176.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.559 ' HA ' HD23 ' A' ' 121' ' ' LEU . 71.4 t80 -80.06 -16.12 55.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.01 0.433 . . . . 0.0 110.077 -177.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.2 -34.62 89.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.952 177.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 120' ' ' LEU . 49.4 mt -76.68 -2.36 32.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.79 0.329 . . . . 0.0 111.349 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 118' ' ' PHE . 4.5 mm? -85.24 -6.49 59.26 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.5 -33.14 17.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.294 171.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 75.9 p -80.41 -34.63 36.05 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.251 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 73.3 mt -75.74 130.43 38.64 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.269 174.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.444 HH12 ' CG ' ' A' ' 104' ' ' ASP . 1.7 mpp_? -104.72 82.28 1.87 Allowed 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.442 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . 10.4 mp -71.53 122.24 20.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.827 177.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.515 HD12 ' HG3' ' A' ' 135' ' ' GLN . 20.6 pt -106.6 177.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.198 -177.105 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.44 ' HB3' ' HB ' ' A' ' 136' ' ' VAL . 15.1 ttm180 -96.7 119.72 35.69 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.804 HD12 ' HB2' ' A' ' 99' ' ' CYS . 51.9 mt -112.05 129.18 67.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.287 0.565 . . . . 0.0 111.229 -176.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -106.57 129.97 54.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.998 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.534 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 28.6 t70 64.23 -80.98 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.158 0.911 . . . . 0.0 112.812 171.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.556 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 10.3 mtmp? -104.86 -69.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.176 0.513 . . . . 0.0 110.963 -178.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.869 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . -157.65 32.68 0.53 Allowed Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 129' ' ' ILE . 1.5 mp0 -83.76 129.53 34.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.38 -0.41 . . . . 0.0 110.065 -177.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.515 ' HG3' HD12 ' A' ' 127' ' ' ILE . 50.8 tt0 -86.43 106.4 17.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.155 0.502 . . . . 0.0 110.654 -175.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' A' ' 128' ' ' ARG . 3.5 t -82.58 90.36 2.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.61 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.473 HG13 ' HG2' ' A' ' 135' ' ' GLN . 18.5 m . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.95 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t . . . . . 0 C--O 1.221 -0.42 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -74.93 -8.85 57.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.373 0.606 . . . . 0.0 110.059 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -95.72 -46.79 6.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.572 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.7 mt -72.47 -29.23 63.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.011 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.513 ' HA ' ' HB3' ' A' ' 25' ' ' LYS . . . -56.42 -20.09 18.02 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 176.148 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -65.62 -39.46 91.52 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 70.3 t -73.88 -35.91 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.835 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.513 ' HB3' ' HA ' ' A' ' 22' ' ' ALA . 51.0 tptt -56.51 -45.67 80.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.514 175.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -60.18 -44.35 95.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.491 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.475 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.9 mtt -55.49 -45.89 76.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.717 176.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -62.88 -49.0 76.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.77 0.319 . . . . 0.0 110.602 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -60.21 -45.75 92.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.393 -177.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.544 HG22 ' HB2' ' A' ' 36' ' ' PHE . 9.4 p -67.8 -28.81 42.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 120.642 0.258 . . . . 0.0 111.479 -175.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 27' ' ' MET . 74.7 t -77.59 -35.01 21.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.064 0.459 . . . . 0.0 110.754 177.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -89.63 -7.59 54.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.92 -176.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 62.4 p -105.21 164.94 11.45 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -76.63 1.79 15.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.38 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.9 m -59.14 -50.35 74.38 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.994 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.544 ' HB2' HG22 ' A' ' 30' ' ' VAL . 28.5 m-85 -136.1 27.6 3.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 178.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 33' ' ' SER . 4.0 ttpm? -64.84 -14.29 58.87 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.008 0.432 . . . . 0.0 110.818 178.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.06 13.95 60.15 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.089 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.466 ' HG3' ' HD1' ' A' ' 36' ' ' PHE . 25.3 mm-40 -116.09 125.15 28.86 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 176.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -67.7 -70.94 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.433 2.089 . . . . 0.0 111.63 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' A' ' 105' ' ' ALA . 46.0 mm -131.93 148.42 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.414 ' HB2' ' HB3' ' A' ' 102' ' ' LEU . 81.9 m-85 -94.75 -171.81 2.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.39 0.614 . . . . 0.0 111.479 -177.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.467 ' HA ' ' OG ' ' A' ' 103' ' ' SER . 2.2 p30 -135.15 -174.12 3.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.219 -177.428 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.475 ' O ' ' HB ' ' A' ' 47' ' ' THR . 34.0 m170 -80.63 -21.36 41.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.849 0.357 . . . . 0.0 110.678 -177.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.02 -41.11 78.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.154 0.502 . . . . 0.0 110.013 176.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -69.17 -25.6 64.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.513 175.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.475 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 97.0 m -60.18 -53.44 57.65 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 170.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 48' ' ' ARG . 9.5 ttp85 -52.72 -47.48 67.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.593 175.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -59.11 -56.49 21.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.728 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -66.58 -46.6 75.44 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.498 ' HA ' ' HD2' ' A' ' 54' ' ' PHE . 46.6 mm -61.85 -39.43 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.886 0.374 . . . . 0.0 110.395 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -62.26 -42.89 99.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.058 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.69 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 85.9 p -61.59 -37.59 84.44 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.62 -178.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.498 ' HD2' ' HA ' ' A' ' 51' ' ' ILE . 49.6 m-85 -58.2 -47.14 84.39 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.916 0.388 . . . . 0.0 110.432 176.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.406 HG23 ' HB2' ' A' ' 86' ' ' ARG . 70.7 mt -59.79 -40.18 81.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.003 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -77.52 -13.81 59.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.909 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.69 ' HG3' ' O ' ' A' ' 53' ' ' SER . 63.5 mtp180 -82.94 -9.44 59.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.802 0.334 . . . . 0.0 110.752 178.163 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.79 -24.42 66.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.857 0.837 . . . . 0.0 109.131 171.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.22 -13.65 62.4 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.582 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 m -67.15 -37.1 83.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.788 0.328 . . . . 0.0 110.639 176.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -81.48 -30.55 33.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.217 0.532 . . . . 0.0 109.821 175.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.767 HD12 HD12 ' A' ' 65' ' ' LEU . 31.0 tp -68.22 -26.27 65.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.69 175.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -65.81 -30.37 70.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.203 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -66.11 -27.71 68.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.37 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.835 HD22 ' HG2' ' A' ' 75' ' ' PRO . 76.5 mt . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.517 175.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.835 ' HG2' HD22 ' A' ' 65' ' ' LEU . 23.3 Cg_exo . . . . . 0 CA--C 1.523 -0.052 0 N-CA-C 112.848 0.288 . . . . 0.0 112.848 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.0 m -59.76 -35.24 74.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.733 0.301 . . . . 0.0 111.025 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -72.92 -49.33 30.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.919 0.39 . . . . 0.0 110.514 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.571 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 37.7 mmt180 -68.99 -46.13 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.64 -176.651 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.545 ' HG3' HD11 ' A' ' 62' ' ' LEU . 50.0 tt0 -58.71 -47.58 84.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.336 -176.291 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.472 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 99.5 t -68.92 -47.1 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.661 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.29 -34.91 72.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.767 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.467 HD12 ' HD2' ' A' ' 85' ' ' ARG . 50.5 tp -71.45 -49.54 40.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.093 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 53.3 tt0 -63.19 -28.37 70.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.719 0.295 . . . . 0.0 111.251 -177.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 97.8 mt-30 -60.07 -28.4 67.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.67 0.271 . . . . 0.0 111.26 177.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.467 ' HD2' HD12 ' A' ' 82' ' ' LEU . 99.5 mtt180 -66.03 -49.16 68.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.823 -178.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 83' ' ' GLN . 8.4 ptp180 -69.93 -28.62 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.379 . . . . 0.0 110.187 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -70.55 -41.72 72.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.49 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -63.67 -42.0 98.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.895 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -55.7 -47.73 76.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.828 175.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 82.8 mt -56.13 -42.97 77.77 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.258 176.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -64.74 -46.41 82.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.358 -178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -69.13 -40.15 78.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.714 0.292 . . . . 0.0 110.567 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.877 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 37.5 t80 -64.16 -39.15 93.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.925 0.393 . . . . 0.0 110.476 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.461 ' HA ' ' N ' ' A' ' 131' ' ' ASP . 65.3 tttp -67.07 -35.59 80.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.15 -27.32 60.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.993 0.425 . . . . 0.0 110.944 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.67 84.67 0.26 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.619 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.877 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 53.2 t80 -82.03 149.13 28.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.04 98.67 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.989 0.423 . . . . 0.0 110.743 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.526 ' SG ' ' HD2' ' A' ' 97' ' ' PHE . 83.7 m -128.41 148.39 67.81 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.045 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -76.52 142.33 23.3 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.149 1.899 . . . . 0.0 111.881 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.48 109.53 5.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.03 0.443 . . . . 0.0 109.859 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.432 HD21 ' SD ' ' A' ' 27' ' ' MET . 16.8 mt -83.72 -0.56 51.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.126 -175.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.467 ' OG ' ' HA ' ' A' ' 43' ' ' ASP . 67.4 m -97.52 -1.11 44.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.061 0.458 . . . . 0.0 111.112 -178.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.404 ' OD2' ' HB2' ' A' ' 106' ' ' LYS . 18.2 t70 -100.9 116.4 32.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.114 177.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -67.12 -23.74 65.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.898 -176.136 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.404 ' HB2' ' OD2' ' A' ' 104' ' ' ASP . 92.4 mttt -76.14 -48.92 18.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -63.52 -39.5 94.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.807 178.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 27.0 ttm -70.3 -25.89 63.53 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.939 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -70.97 -39.49 72.49 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -62.41 -46.22 89.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.081 0.467 . . . . 0.0 110.287 172.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.57 -31.75 71.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.707 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -67.54 -34.23 76.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.13 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -106.79 20.73 18.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.489 0.662 . . . . 0.0 110.293 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -61.87 148.08 44.55 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.142 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -132.98 -177.26 4.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.866 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.49 61.31 3.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.53 175.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.0 m -132.84 113.74 13.26 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.676 -0.262 . . . . 0.0 110.488 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.584 ' HA ' HD23 ' A' ' 121' ' ' LEU . 82.5 t80 -64.18 -23.97 67.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.059 0.457 . . . . 0.0 110.446 178.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.18 -21.27 68.0 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.457 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 63.8 mt -77.08 -12.6 59.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.096 0.474 . . . . 0.0 110.744 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 118' ' ' PHE . 4.0 mm? -79.51 -6.73 57.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.541 0.686 . . . . 0.0 109.236 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -99.71 -30.56 12.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.2 175.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 44.7 p -77.12 -35.44 56.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.764 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.44 139.5 57.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.598 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 mtm-85 -84.41 77.14 10.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.843 0.83 . . . . 0.0 109.016 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 24.0 mt -83.34 121.82 27.65 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.442 -1.254 . . . . 0.0 109.614 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 35.6 pt -118.67 -177.45 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.986 -175.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 128' ' ' ARG . 43.2 mtt-85 -96.82 127.99 43.34 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.071 174.06 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.478 HD12 ' HB2' ' A' ' 99' ' ' CYS . 53.0 mt -115.64 124.21 71.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.266 174.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.488 HD22 HG22 ' A' ' 136' ' ' VAL . 29.1 p30 -104.12 169.65 8.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.118 0.485 . . . . 0.0 111.972 -171.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.461 ' N ' ' HA ' ' A' ' 94' ' ' LYS . 13.4 t70 50.74 -91.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.887 178.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.453 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 62.7 mttp -149.45 79.91 1.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.432 ' O ' ' HB3' ' A' ' 44' ' ' HIS . . . 76.43 38.46 33.26 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.948 177.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.423 ' HB2' ' OD1' ' A' ' 130' ' ' ASN . 54.8 mt-10 -117.55 156.82 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.619 -0.342 . . . . 0.0 110.499 176.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -84.21 133.82 34.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.183 -168.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.488 HG22 HD22 ' A' ' 130' ' ' ASN . 59.2 t -106.2 136.38 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 169.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.5 t . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 121.204 0.526 . . . . 0.0 110.379 -179.201 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 N--CA 1.456 -0.153 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.448 ' HE2' ' HE1' ' A' ' 97' ' ' PHE . 34.5 t60 -59.28 -19.4 45.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.854 173.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.559 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . 21.3 mt-10 -93.89 -61.0 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.539 177.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.8 mt -68.27 -30.55 69.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -170.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.88 -31.16 69.53 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.071 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.559 ' HE ' ' HA ' ' A' ' 20' ' ' GLU . 54.4 mtm180 -65.11 -52.16 57.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.456 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t -63.19 -38.45 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.166 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HG2' ' HZ3' ' A' ' 114' ' ' TRP . 5.1 tmtt? -57.91 -48.43 79.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.037 177.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -64.65 -46.17 83.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.539 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.7 mtt -55.89 -47.51 77.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.568 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -62.95 -49.34 75.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.186 0.517 . . . . 0.0 110.767 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.91 -40.62 89.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.287 -174.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.543 HG22 ' HB2' ' A' ' 36' ' ' PHE . 9.9 p -75.52 -28.66 20.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.616 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 27' ' ' MET . 98.4 t -77.72 -37.07 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.096 0.474 . . . . 0.0 110.604 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -78.75 -20.59 49.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.695 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 60.3 p -96.76 167.38 11.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.795 0.331 . . . . 0.0 110.479 177.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.44 -9.22 52.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.749 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.0 m -58.02 -40.83 81.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.317 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.543 ' HB2' HG22 ' A' ' 30' ' ' VAL . 6.2 m-85 -144.08 21.63 1.75 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 33' ' ' SER . 6.8 ttpm? -68.44 -10.01 52.47 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.098 0.475 . . . . 0.0 110.332 178.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.02 -17.88 79.31 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.863 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -116.86 96.6 49.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.527 ' O ' ' HG2' ' A' ' 108' ' ' MET . 31.8 Cg_exo -61.94 -27.79 80.22 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.602 2.201 . . . . 0.0 112.153 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.6 mm -130.1 145.69 35.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.874 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.621 ' HB2' ' HB3' ' A' ' 102' ' ' LEU . 54.7 m-85 -112.79 175.38 5.46 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 175.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -117.79 -172.78 2.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.344 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.555 ' O ' ' HB ' ' A' ' 47' ' ' THR . 37.4 m80 -80.06 -23.62 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.837 -175.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.25 -39.28 75.12 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 177.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -68.99 -21.82 64.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.892 176.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 53.6 m -60.08 -58.52 8.17 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 170.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.422 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 19.6 ttt180 -53.92 -42.48 68.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.779 176.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.37 -56.8 16.63 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.469 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.2 -42.72 68.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.453 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.5 mm -65.25 -39.86 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.23 -177.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -63.74 -41.24 98.07 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.621 0.248 . . . . 0.0 110.564 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.9 m -65.06 -32.32 73.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.877 0.37 . . . . 0.0 111.018 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -62.57 -39.71 94.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.063 0.458 . . . . 0.0 109.857 175.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.5 mt -72.69 -36.9 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.06 176.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.19 -33.21 67.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.297 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -74.24 0.85 12.87 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -62.89 -32.3 73.54 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.84 -31.41 71.66 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.152 176.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.4 m -65.36 -47.31 76.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.069 0.461 . . . . 0.0 110.334 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.542 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 43.1 mt-10 -68.6 -36.62 78.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.176 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.442 HD11 ' HG3' ' A' ' 79' ' ' GLN . 30.9 tp -58.24 -42.93 87.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.059 175.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.06 -19.07 61.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.794 0.33 . . . . 0.0 110.448 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.542 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 54.8 mm-40 -66.91 -41.01 87.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.343 171.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.332 -0.184 0 CA-C-O 121.804 0.811 . . . . 0.0 109.282 172.842 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.63 ' HG2' ' HB2' ' A' ' 79' ' ' GLN . 12.4 Cg_endo . . . . . 0 CA--C 1.53 0.295 0 N-CA-C 112.71 0.235 . . . . 0.0 112.71 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.4 p 45.61 -93.77 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.121 0.968 . . . . 0.0 113.278 175.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -65.15 -37.13 86.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 110.646 -178.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -76.15 -22.73 55.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.688 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.63 ' HB2' ' HG2' ' A' ' 75' ' ' PRO . 51.4 tt0 -71.41 -43.05 67.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.889 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.514 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 59.9 t -66.22 -37.54 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.42 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.4 tp -59.02 -33.41 70.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.583 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 62' ' ' LEU . 3.5 tm? -69.53 -46.82 65.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.889 177.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.566 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 30.5 tt0 -57.52 -35.05 69.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.15 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 97.3 mt-30 -58.9 -20.83 55.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.741 -177.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -63.06 -50.9 68.78 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 83' ' ' GLN . 18.4 ptp180 -69.42 -34.2 74.1 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.3 -175.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.92 -55.34 35.34 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.08 0.466 . . . . 0.0 110.552 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -61.66 -42.2 98.59 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.003 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.53 ' OE1' ' HA ' ' A' ' 89' ' ' GLU . 1.6 tp10 -70.19 -37.1 75.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.628 -176.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.602 ' HA ' ' HD2' ' A' ' 93' ' ' PHE . 53.3 mt -62.16 -35.46 78.87 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 175.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.41 -30.03 70.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.911 176.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 89' ' ' GLU . 34.6 tt0 -70.57 -49.38 48.53 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.849 173.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.662 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 82.3 m-85 -58.25 -41.42 84.17 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.943 0.401 . . . . 0.0 111.429 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -74.56 -8.03 55.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.728 -176.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.96 2.08 37.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.86 0.362 . . . . 0.0 111.235 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.87 81.85 1.55 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.497 -0.858 . . . . 0.0 111.392 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.662 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 34.0 t80 -75.22 130.48 39.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.609 0.243 . . . . 0.0 110.977 -174.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.3 tp -69.71 98.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.092 0.473 . . . . 0.0 110.261 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.594 ' SG ' ' HD2' ' A' ' 100' ' ' PRO . 35.9 t -128.19 144.94 53.59 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.578 -176.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.594 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 43.9 Cg_endo -71.1 134.03 24.34 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.952 1.768 . . . . 0.0 110.836 175.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -71.74 104.38 3.38 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.444 -0.502 . . . . 0.0 109.779 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.621 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 68.7 mt -64.68 -24.74 67.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.599 -177.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 p -80.88 -2.14 46.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.973 0.416 . . . . 0.0 111.408 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.512 ' HB3' ' HB3' ' A' ' 107' ' ' ASN . 14.0 t70 -95.83 123.45 39.42 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.854 176.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.47 -36.09 65.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.794 -173.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -68.55 -43.2 77.16 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.628 ' HB2' ' HB2' ' A' ' 125' ' ' ARG . 9.0 t30 -60.02 -45.34 93.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.686 175.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 40' ' ' PRO . 48.5 tpp -63.15 -35.13 79.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.671 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -67.62 -43.94 79.23 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.618 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -63.78 -35.52 80.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.925 0.393 . . . . 0.0 110.345 175.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.495 HD22 ' SD ' ' A' ' 108' ' ' MET . 8.8 tt -65.63 -45.55 82.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.361 177.238 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.5 ttp85 -60.9 -29.59 69.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.32 0.581 . . . . 0.0 111.083 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -106.69 21.48 17.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.579 -173.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.541 ' HZ3' ' HG2' ' A' ' 25' ' ' LYS . 61.2 t90 -69.42 143.25 53.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.688 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -130.51 -171.75 2.63 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.49 62.93 2.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.433 175.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.466 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 23.9 m -131.52 119.04 20.98 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.484 0.313 . . . . 0.0 110.246 -175.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -76.9 -33.43 57.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.079 0.466 . . . . 0.0 110.298 -177.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -70.81 -11.67 69.74 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.928 -0.654 . . . . 0.0 112.539 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 120' ' ' LEU . 2.6 tt -71.45 -22.37 61.84 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.496 HD13 HD12 ' A' ' 124' ' ' LEU . 4.2 mm? -65.64 -26.12 67.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.24 178.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -79.27 -15.0 58.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 80.4 p -99.7 1.96 43.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.451 . . . . 0.0 110.791 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.496 HD12 HD13 ' A' ' 121' ' ' LEU . 58.8 mt -98.05 149.54 22.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.693 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.628 ' HB2' ' HB2' ' A' ' 107' ' ' ASN . 64.2 mtt180 -85.64 74.68 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.63 0.729 . . . . 0.0 110.036 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.4 mt -88.99 125.3 34.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.161 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.464 HG13 HG13 ' A' ' 129' ' ' ILE . 32.8 pt -124.09 177.23 4.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.206 -179.159 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 -96.91 116.66 29.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.25 0.548 . . . . 0.0 109.863 176.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.525 HG22 ' O ' ' A' ' 130' ' ' ASN . 60.8 mt -122.07 134.07 66.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.427 -175.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.865 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 27.4 t-20 -71.9 152.97 42.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 172.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -47.85 -21.4 0.41 Allowed 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -173.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.472 ' HB2' ' HG3' ' A' ' 134' ' ' GLU . 31.8 mttp -95.4 5.29 52.03 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.112 -0.368 . . . . 0.0 111.871 -178.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 86.71 31.43 18.35 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.23 -175.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.865 ' HB2' ' HB3' ' A' ' 130' ' ' ASN . 50.6 mt-10 -96.92 143.79 27.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.614 0.245 . . . . 0.0 110.382 -176.528 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -77.14 120.45 22.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.449 -174.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.2 t -116.65 116.83 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.51 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 C--N 1.324 -0.522 0 CA-C-O 120.741 0.305 . . . . 0.0 111.053 -177.319 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.878 0.371 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.428 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 7.8 t-160 -60.67 -31.46 70.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.64 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.503 ' HG3' ' CZ ' ' A' ' 97' ' ' PHE . 2.3 mp0 -91.88 -52.31 4.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.627 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 mt -65.84 -26.59 67.73 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -169.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -25.15 65.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 111.051 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.666 HH12 ' HE2' ' A' ' 93' ' ' PHE . 4.5 ptm85 -72.64 -35.74 67.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.189 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.3 t -71.9 -40.63 68.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.81 -45.77 82.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.412 175.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.451 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 90.0 t80 -63.25 -54.03 43.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.649 178.168 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.562 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.8 mtt -54.68 -42.61 71.61 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -59.99 -55.17 37.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.213 -179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.6 -36.26 83.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.028 -175.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 26' ' ' PHE . 54.8 t -62.97 -42.95 98.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.393 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 27' ' ' MET . 80.2 t -66.67 -34.68 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.233 0.539 . . . . 0.0 110.601 178.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -86.96 -9.23 56.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.906 -174.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.484 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 33.0 p -107.99 156.38 19.3 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 177.088 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -67.85 -3.63 10.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.51 -175.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.2 m -54.5 -46.71 73.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.069 177.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -140.75 20.27 2.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.77 0.319 . . . . 0.0 110.894 176.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 33' ' ' SER . 59.7 tttm -60.92 -22.68 64.61 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.062 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.13 -13.56 64.76 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.211 -0.518 . . . . 0.0 112.531 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -94.62 118.15 66.9 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.464 ' O ' HD13 ' A' ' 41' ' ' ILE . 32.2 Cg_exo -58.65 -63.7 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.138 1.892 . . . . 0.0 111.217 178.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 105' ' ' ALA . 29.6 mm -128.72 145.26 35.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 175.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.824 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 39.0 m-85 -82.38 -168.02 1.82 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.963 0.411 . . . . 0.0 111.144 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.892 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 18.6 t70 -146.67 170.3 17.24 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -179.059 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.519 ' O ' ' HB ' ' A' ' 47' ' ' THR . 12.6 m170 -61.71 -22.91 65.76 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.581 0.229 . . . . 0.0 111.309 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.29 73.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.846 0.355 . . . . 0.0 110.579 174.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.21 -24.65 60.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.581 ' O ' HG13 ' A' ' 51' ' ' ILE . 97.8 m -57.82 -57.16 14.0 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 169.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.617 HH11 ' HB3' ' A' ' 132' ' ' LYS . 34.6 ttp180 -50.85 -44.71 59.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.044 176.006 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -57.36 -47.99 80.2 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.228 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.451 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 11.1 m-30 -72.67 -36.56 67.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.655 -178.13 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.589 HG12 ' NH2' ' A' ' 23' ' ' ARG . 54.1 mt -66.62 -44.03 90.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.055 178.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -43.93 92.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.307 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 p -72.33 -34.74 68.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -65.27 -17.56 64.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.36 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 51' ' ' ILE . 63.5 mt -95.18 -26.14 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.184 0.516 . . . . 0.0 110.378 172.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -84.16 -6.07 59.34 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.157 -171.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.519 ' H ' ' HG3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -46.26 -43.36 15.54 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.899 0.381 . . . . 0.0 111.518 177.189 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.36 -6.36 39.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -175.284 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.28 -32.66 73.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 170.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.9 m -67.36 -36.77 82.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.113 174.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -66.08 -47.23 74.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.221 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.3 tp -62.24 -34.72 77.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.509 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.82 -39.78 90.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.725 177.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -66.94 -37.93 85.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.912 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.048 0.451 . . . . 0.0 110.51 177.528 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 CA--C 1.53 0.289 0 N-CA-C 112.439 0.13 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.2 t -47.94 -46.86 32.63 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.933 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -82.58 -51.57 7.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.893 0.377 . . . . 0.0 111.291 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.23 -27.27 68.55 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -172.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -62.49 -36.93 84.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.222 0.534 . . . . 0.0 110.301 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.2 t -69.99 -37.82 73.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.402 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.0 mt -65.13 -35.37 80.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.637 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.99 -46.65 89.88 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.67 -40.03 93.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.254 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -59.43 -32.95 70.67 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.526 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -63.17 -53.68 49.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.535 177.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -66.92 -33.79 76.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.971 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.23 -48.11 81.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.779 177.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -64.48 -49.97 69.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.856 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.57 ' O ' ' HD1' ' A' ' 93' ' ' PHE . 48.3 mt-10 -61.02 -38.83 87.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.16 -40.57 74.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.461 177.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -69.59 -35.02 74.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.662 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -68.46 -44.36 75.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.654 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.76 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 56.8 m-85 -66.48 -32.99 74.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.029 0.442 . . . . 0.0 110.676 177.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -68.95 -31.23 69.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.989 178.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.59 -3.48 34.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.669 -177.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.15 79.58 1.3 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.55 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.76 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 32.3 t80 -82.42 150.15 27.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 -177.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.7 tp -68.92 97.3 0.83 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.089 0.471 . . . . 0.0 110.138 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.432 ' HB3' HD12 ' A' ' 129' ' ' ILE . 36.2 t -128.53 141.95 43.2 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.056 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 99' ' ' CYS . 21.7 Cg_exo -64.71 149.57 89.53 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.329 2.019 . . . . 0.0 111.508 174.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -57.29 -37.15 71.97 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.202 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.824 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 13.5 tp 74.44 -28.44 0.19 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.062 173.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.892 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 5.5 p -96.09 -0.51 50.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.912 0.386 . . . . 0.0 111.421 178.186 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -88.79 122.8 32.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 174.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.515 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -71.81 -28.04 63.33 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -172.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -78.04 -39.29 42.43 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -60.8 -45.78 93.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.483 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -37.73 80.78 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.858 178.036 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.45 -51.57 62.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.477 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -64.73 -33.04 75.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.015 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.5 tt -61.6 -40.32 94.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.564 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -64.47 -34.49 78.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.289 0.566 . . . . 0.0 110.627 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -96.86 20.96 10.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.643 -173.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.648 ' HA ' HD13 ' A' ' 120' ' ' LEU . 29.9 t90 -72.55 91.38 1.41 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 174.328 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -66.49 -58.06 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.488 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.31 55.59 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.146 -1.025 . . . . 0.0 112.958 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.687 ' OG1' ' HB2' ' A' ' 120' ' ' LEU . 43.5 p -120.68 160.18 23.82 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.074 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.509 ' HA ' HD23 ' A' ' 121' ' ' LEU . 96.5 m-85 -88.05 -20.77 25.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.132 0.492 . . . . 0.0 109.931 173.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -76.53 -25.09 66.2 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.565 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.687 ' HB2' ' OG1' ' A' ' 117' ' ' THR . 1.7 tt -62.44 -25.67 68.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.338 0.59 . . . . 0.0 109.846 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.629 HD12 HD11 ' A' ' 126' ' ' LEU . 3.4 mm? -66.85 -16.2 64.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.899 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -84.03 -28.89 27.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.041 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 56.4 p -83.3 -20.06 35.11 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.248 0.546 . . . . 0.0 110.273 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.503 HD12 HD13 ' A' ' 121' ' ' LEU . 80.6 mt -79.64 136.2 36.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.667 174.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 52.5 ttt-85 -79.76 74.1 6.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.474 0.654 . . . . 0.0 109.262 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.629 HD11 HD12 ' A' ' 121' ' ' LEU . 86.8 mt -87.81 123.79 32.95 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.815 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.553 HD12 ' HG3' ' A' ' 135' ' ' GLN . 11.8 pt -119.62 -177.35 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.49 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.453 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 44.4 mtt180 -103.94 139.03 39.66 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.432 HD12 ' HB3' ' A' ' 99' ' ' CYS . 44.8 mt -134.1 128.21 52.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.309 -174.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -89.25 105.52 17.85 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.948 176.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.582 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 35.8 t70 51.99 -83.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 166.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.617 ' HB3' HH11 ' A' ' 48' ' ' ARG . 55.9 mttp -85.78 37.57 0.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -171.402 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.431 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 68.94 32.72 73.69 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.433 178.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -94.85 118.81 32.39 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -178.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.553 ' HG3' HD12 ' A' ' 127' ' ' ILE . 53.3 tt0 -73.97 141.75 45.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.439 0.638 . . . . 0.0 112.08 -168.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.453 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 8.6 t -119.6 106.2 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.172 175.116 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 121.159 0.504 . . . . 0.0 110.774 179.586 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t . . . . . 0 C--O 1.223 -0.293 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.421 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -74.49 -7.66 53.76 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.339 -179.214 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -83.86 -44.31 14.44 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 168.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.98 -42.84 94.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.941 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.7 -30.13 63.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.784 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 19' ' ' HIS . 62.3 mtt85 -66.03 -36.21 82.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.769 0.319 . . . . 0.0 110.395 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.9 t -69.92 -41.81 79.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.107 175.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 59.2 tttm -67.71 -31.8 72.0 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -62.75 -43.23 99.33 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.526 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.7 mtt -61.72 -45.47 93.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.76 174.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -54.6 -56.96 13.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.928 176.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.71 -45.7 85.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.689 -178.127 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 27' ' ' MET . 5.3 p -68.47 -28.64 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.432 -176.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 27' ' ' MET . 75.9 t -77.96 -36.92 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.204 0.526 . . . . 0.0 110.376 176.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -81.79 -17.5 47.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.937 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.534 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 30.2 t -93.8 155.54 17.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.792 177.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.34 -5.43 7.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.756 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.3 m -56.8 -50.97 70.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.719 0.295 . . . . 0.0 110.841 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -135.7 24.28 3.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.283 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 33' ' ' SER . 37.0 ttpt -70.02 -1.93 11.23 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.047 0.451 . . . . 0.0 111.139 178.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.41 -56.17 16.87 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.498 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -116.56 108.8 44.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 177.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.78 -18.37 41.84 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.864 2.376 . . . . 0.0 112.764 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 105' ' ' ALA . 17.2 mm -114.51 139.89 38.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.671 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 94.1 m-85 -119.7 -162.47 0.92 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.599 0.238 . . . . 0.0 110.778 -178.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -132.34 -175.84 3.88 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.617 ' O ' ' HB ' ' A' ' 47' ' ' THR . 32.2 m170 -76.93 -20.24 56.41 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -173.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.13 -40.85 62.37 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.002 0.429 . . . . 0.0 109.879 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.464 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 36.5 m80 -66.76 -25.15 66.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.103 174.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.617 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 75.2 m -56.68 -61.88 2.12 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.094 170.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.574 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 36.0 ttp85 -53.1 -47.04 68.91 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.407 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 27.7 mt-10 -54.33 -51.6 64.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.779 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.31 -35.65 71.34 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 47' ' ' THR . 67.2 mt -59.16 -51.5 71.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.956 0.407 . . . . 0.0 110.06 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -63.02 -38.24 90.38 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.384 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.7 m -57.78 -42.18 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.733 0.301 . . . . 0.0 111.214 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -72.06 -41.79 67.01 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.384 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.511 HG21 HD21 ' A' ' 90' ' ' LEU . 62.5 mt -67.24 -31.3 52.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.161 0.505 . . . . 0.0 110.4 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -65.06 -39.67 93.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.404 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -74.22 -3.15 28.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.557 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -66.11 -24.76 66.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.777 0.799 . . . . 0.0 109.237 174.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.09 -22.32 66.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.069 177.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.9 m -66.34 -38.67 88.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.787 0.327 . . . . 0.0 111.169 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.82 -39.42 64.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.498 0.666 . . . . 0.0 109.451 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.6 -32.13 73.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.321 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.59 -27.51 66.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.639 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -71.05 -35.69 72.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.167 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.309 177.256 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.61 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 32.9 Cg_endo . . . . . 0 C--O 1.225 -0.148 0 N-CA-C 113.02 0.354 . . . . 0.0 113.02 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.0 p -50.48 -49.54 55.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.917 0.389 . . . . 0.0 110.724 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -60.48 -40.59 91.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.328 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.61 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 43.1 mtt-85 -80.91 -36.25 31.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.218 -172.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.05 -39.95 94.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.439 0.637 . . . . 0.0 109.418 175.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.456 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 70.4 t -72.33 -42.87 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.267 178.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.4 tp -56.99 -37.24 71.37 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.398 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.19 -52.49 65.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.671 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -67.88 -30.72 70.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.906 -178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 86.3 mt-30 -60.27 -50.81 72.17 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.89 -0.141 . . . . 0.0 111.248 178.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.2 ptt85 -71.03 -34.85 71.69 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.516 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -60.59 -42.62 97.08 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.982 0.42 . . . . 0.0 109.996 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.13 -37.93 89.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.354 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -63.57 -48.57 76.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.673 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -63.09 -37.98 89.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 55' ' ' ILE . 91.2 mt -68.81 -35.46 77.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.896 175.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -59.71 -49.58 77.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -62.85 -37.24 86.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.624 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.954 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 73.1 t80 -60.69 -47.25 87.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 176.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -69.61 -21.0 63.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -97.83 11.16 38.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.576 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.36 87.78 1.34 Allowed Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.954 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 27.9 t80 -74.51 152.03 39.43 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -176.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.46 ' HG ' ' HB3' ' A' ' 126' ' ' LEU . 23.8 tp -76.38 94.56 3.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.99 0.424 . . . . 0.0 110.137 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.801 ' HB2' HD12 ' A' ' 129' ' ' ILE . 83.4 m -128.12 157.03 75.42 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.663 -178.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -70.57 146.19 54.52 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.445 2.096 . . . . 0.0 111.467 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.25 -36.68 68.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.18 177.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.671 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 18.7 tp 75.41 -16.31 0.59 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.497 0.719 . . . . 0.0 112.537 172.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.1 p -108.15 0.71 21.73 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.127 -0.358 . . . . 0.0 111.531 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.659 ' O ' ' HG2' ' A' ' 108' ' ' MET . 11.9 t70 -96.89 124.31 40.83 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.48 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -67.72 -33.43 74.88 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -173.125 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.536 ' HA ' ' HG3' ' A' ' 109' ' ' GLU . 44.0 tttp -75.44 -36.53 60.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.424 0.631 . . . . 0.0 109.969 -178.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -57.84 -38.59 75.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.232 171.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.659 ' HG2' ' O ' ' A' ' 104' ' ' ASP . 90.9 mmm -73.96 -21.03 60.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.12 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.536 ' HG3' ' HA ' ' A' ' 106' ' ' LYS . 40.0 mt-10 -61.27 -54.64 41.45 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 173.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.444 ' HB2' HD23 ' A' ' 124' ' ' LEU . 42.6 m-85 -64.13 -34.87 79.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.267 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.47 -45.54 79.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.765 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.7 ttt85 -71.59 -31.48 66.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.503 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -102.7 21.67 15.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.185 -176.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.481 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 12.9 t90 -72.26 111.33 7.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.25 0.548 . . . . 0.0 110.187 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -96.48 23.4 6.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.107 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 77.52 36.31 34.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.069 -175.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.561 ' HB ' ' HG ' ' A' ' 120' ' ' LEU . 5.2 m -96.24 114.44 26.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.277 -0.462 . . . . 0.0 110.228 -177.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.509 ' HA ' HD23 ' A' ' 121' ' ' LEU . 86.0 m-85 -63.61 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.868 -178.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.23 -18.41 69.25 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.796 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.561 ' HG ' ' HB ' ' A' ' 117' ' ' THR . 50.5 mt -78.73 -9.85 59.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.682 0.277 . . . . 0.0 111.167 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 118' ' ' PHE . 3.9 mm? -78.86 3.6 16.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.942 0.401 . . . . 0.0 110.854 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -119.99 -13.89 8.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.395 174.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 41.4 p -91.24 -32.81 15.62 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.194 177.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 110' ' ' PHE . 19.5 mt -59.38 141.26 54.99 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.474 174.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -79.15 76.81 5.66 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.924 0.869 . . . . 0.0 109.43 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.46 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . 54.9 mt -94.89 111.53 23.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.278 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 24.6 pt -106.46 -173.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.186 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.583 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 25.9 mmm-85 -96.58 111.94 23.88 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 176.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.801 HD12 ' HB2' ' A' ' 99' ' ' CYS . 34.7 mt -110.6 119.87 60.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.32 0.581 . . . . 0.0 111.832 -175.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -100.39 117.56 34.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.604 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 93' ' ' PHE . 2.7 m-20 56.14 -89.7 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 172.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.574 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 50.2 pttt -98.91 33.5 2.32 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -167.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.544 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 86.54 18.72 58.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.015 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -80.89 133.64 35.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.741 0.305 . . . . 0.0 110.461 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -81.42 113.83 19.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.105 0.479 . . . . 0.0 110.85 -177.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.583 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 21.4 t -83.93 99.63 6.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.434 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--N 1.321 -0.644 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.013 175.062 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.554 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 60.1 t . . . . . 0 C--O 1.225 -0.219 0 CA-C-O 121.136 0.493 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -92.07 3.93 54.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.931 0.396 . . . . 0.0 110.357 176.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -110.5 -70.35 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.773 0.32 . . . . 0.0 111.184 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.449 ' HG ' HD11 ' A' ' 121' ' ' LEU . 7.0 mp -77.26 -33.73 55.86 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -172.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -63.9 -19.27 64.97 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.449 HH22 ' CD ' ' A' ' 89' ' ' GLU . 42.2 mtt-85 -66.84 -41.21 87.76 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.05 0.453 . . . . 0.0 109.804 177.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.9 t -68.24 -36.87 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.835 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -63.95 -43.16 96.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.238 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.437 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 84.1 t80 -59.37 -46.31 89.01 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.455 177.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.563 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.0 mtt -54.82 -52.52 62.45 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 175.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -55.55 -47.07 76.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.24 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.13 -51.63 68.89 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 178.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 26' ' ' PHE . 95.3 t -59.86 -44.76 94.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -178.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 27' ' ' MET . 63.8 t -63.9 -36.95 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.208 0.527 . . . . 0.0 111.146 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -99.18 6.15 46.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.642 -175.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.53 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 47.1 t -110.9 150.54 29.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 175.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -69.65 -3.38 14.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.074 0.464 . . . . 0.0 110.474 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.1 m -47.92 -51.42 23.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.547 173.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -142.52 28.8 1.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.521 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 33' ' ' SER . 49.1 tttm -62.6 -14.26 40.83 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.513 -176.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.73 -23.2 73.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.914 174.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -116.27 100.99 53.91 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -62.8 -30.54 77.92 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.748 2.299 . . . . 0.0 112.727 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.562 HD11 ' HA ' ' A' ' 105' ' ' ALA . 59.0 mt -136.67 138.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.865 0.364 . . . . 0.0 110.473 -178.284 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -105.65 153.17 22.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.498 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.7 -178.55 7.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.099 0.476 . . . . 0.0 111.036 -176.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.697 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 31.5 m170 -71.83 -25.82 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.806 -175.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.83 78.36 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 175.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -71.36 -21.81 61.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.68 175.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.641 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 37.8 m -56.98 -57.96 10.26 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 168.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.554 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 3.3 ttp180 -51.64 -45.59 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.619 175.393 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -59.47 -50.57 73.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.369 -177.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.437 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 9.3 m-85 -73.15 -37.48 66.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.605 -178.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.06 -46.44 94.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.983 0.42 . . . . 0.0 109.948 176.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -64.44 -39.86 94.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.916 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -66.31 -33.81 76.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' A' ' 57' ' ' ARG . 53.0 t80 -66.32 -38.28 87.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.92 0.391 . . . . 0.0 110.043 177.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.2 mt -70.52 -29.97 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.653 0.739 . . . . 0.0 109.808 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -73.65 -16.02 61.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.547 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 19.1 ttm180 -61.8 -33.8 74.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.35 173.032 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.58 -22.25 66.79 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.391 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.26 -24.64 67.96 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.455 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.2 m -62.15 -44.4 96.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.076 0.465 . . . . 0.0 110.767 -178.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.52 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 53.6 mt-10 -69.53 -32.27 70.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.214 178.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.2 tp -67.99 -39.44 83.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.712 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.95 -36.91 83.27 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.88 -38.9 83.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 174.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.619 ' HB3' ' HG2' ' A' ' 75' ' ' PRO . 95.6 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.144 0.497 . . . . 0.0 110.097 175.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.619 ' HG2' ' HB3' ' A' ' 65' ' ' LEU . 5.8 Cg_exo . . . . . 0 N--CA 1.462 -0.354 0 CA-C-O 120.449 0.104 . . . . 0.0 112.07 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.3 p -46.84 -54.05 10.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.119 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -73.46 -41.76 62.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.051 0.453 . . . . 0.0 111.202 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 78' ' ' ARG . 0.8 OUTLIER -69.39 -27.1 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.656 -172.208 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -70.2 -24.35 63.1 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.98 0.419 . . . . 0.0 109.973 174.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.7 t -71.5 -40.05 71.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.786 176.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.64 -34.86 78.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.229 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.624 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.6 OUTLIER -63.54 -44.77 93.25 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 174.576 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -55.97 -47.47 77.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.768 176.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -56.91 -41.51 78.28 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.316 0.385 . . . . 0.0 111.234 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.624 ' HD3' ' HA ' ' A' ' 82' ' ' LEU . 39.2 mtp180 -53.59 -54.06 42.9 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.622 178.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -70.98 -38.39 72.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.248 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -59.25 -43.88 92.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.912 -176.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -68.25 -41.42 81.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.567 177.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 25.6 mm-40 -50.51 -57.47 8.03 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.243 0.544 . . . . 0.0 111.339 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.38 -39.24 93.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.155 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -70.09 -42.79 72.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.929 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.71 -38.11 86.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.026 -178.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.798 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 38.8 t80 -71.24 -36.62 71.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.98 -179.06 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.431 ' HA ' ' OD1' ' A' ' 130' ' ' ASN . 22.2 mttp -76.8 -5.48 48.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 111.526 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.62 8.47 35.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.143 0.497 . . . . 0.0 110.196 175.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.41 82.63 1.38 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.66 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.798 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 65.7 t80 -84.83 145.47 27.82 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.422 ' HG ' HD23 ' A' ' 126' ' ' LEU . 28.9 tp -70.03 101.5 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.503 -178.56 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.758 ' HB2' HD12 ' A' ' 129' ' ' ILE . 34.4 m -128.26 147.03 61.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.088 -178.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -70.15 137.09 33.53 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 121.967 1.778 . . . . 0.0 111.375 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -66.32 102.19 0.83 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.089 0.471 . . . . 0.0 110.958 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.418 HD21 ' SD ' ' A' ' 27' ' ' MET . 80.0 mt -79.87 90.41 5.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.727 175.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.3 t -178.13 -47.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.253 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -69.19 133.82 48.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.637 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.562 ' HA ' HD11 ' A' ' 41' ' ' ILE . . . -74.17 -39.05 63.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.108 -175.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -66.62 -37.53 85.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -63.62 -40.65 97.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.122 176.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.536 ' SD ' HG21 ' A' ' 31' ' ' VAL . 42.7 tpp -67.87 -44.15 77.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.376 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 112' ' ' ARG . 42.3 tt0 -67.51 -35.34 78.93 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.278 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -33.53 72.05 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 176.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.418 HD22 ' SD ' ' A' ' 108' ' ' MET . 5.1 tt -64.47 -32.84 74.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.982 174.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.457 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 36.0 ttt180 -66.82 -33.98 76.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.579 174.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -88.83 8.68 27.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.479 ' HD1' HD22 ' A' ' 120' ' ' LEU . 66.0 t90 -71.0 131.77 44.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.102 0.477 . . . . 0.0 111.335 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -112.8 -178.09 3.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.404 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.54 64.66 2.52 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.66 175.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.5 m -135.66 123.02 21.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.598 0.237 . . . . 0.0 110.622 -177.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -64.4 -33.44 75.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.349 -178.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.44 -22.52 69.57 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.092 -0.575 . . . . 0.0 113.04 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.479 HD22 ' HD1' ' A' ' 114' ' ' TRP . 1.2 tt -74.53 -14.04 60.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.567 0.699 . . . . 0.0 109.905 -178.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.449 HD11 ' HG ' ' A' ' 21' ' ' LEU . 96.7 mt -78.68 -7.57 57.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.332 178.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -98.27 -21.22 16.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.928 176.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 68.6 p -87.4 -29.04 21.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.982 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.5 mt -73.66 155.88 38.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.587 172.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -87.36 81.28 7.92 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.976 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.422 HD23 ' HG ' ' A' ' 98' ' ' LEU . 9.3 mp -94.76 122.9 37.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.147 175.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 22.0 pt -123.21 179.05 2.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.354 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -96.63 113.5 25.07 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.346 0.593 . . . . 0.0 109.858 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.758 HD12 ' HB2' ' A' ' 99' ' ' CYS . 54.4 mt -111.22 135.95 48.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.242 -172.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.431 ' OD1' ' HA ' ' A' ' 94' ' ' LYS . 44.0 t30 -118.36 125.44 50.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.972 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 55.48 -102.28 0.15 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.088 -0.96 . . . . 0.0 113.401 176.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.554 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 25.8 pttm -86.12 40.18 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -167.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.697 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 72.1 29.31 66.91 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.067 -1.063 . . . . 0.0 111.64 -179.268 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -86.02 125.44 33.42 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -74.49 120.76 20.49 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 23.7 t -82.83 97.28 4.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.748 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.453 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.114 177.147 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.525 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 33.3 m . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 121.299 0.571 . . . . 0.0 109.796 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.412 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . 17.4 t-80 -72.81 -5.33 37.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.039 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.637 ' HB3' HD22 ' A' ' 21' ' ' LEU . 25.9 tt0 -115.8 -71.0 0.76 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.052 -174.414 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.637 HD22 ' HB3' ' A' ' 20' ' ' GLU . 1.9 mm? -89.15 -14.6 35.75 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -170.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -66.6 -23.41 66.18 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.514 -0.475 . . . . 0.0 111.442 -176.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.434 ' HD3' HH11 ' A' ' 23' ' ' ARG . 13.3 mtm180 -68.13 -33.54 74.68 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.883 176.166 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.0 t -67.63 -40.21 83.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.696 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 55.4 tttm -71.21 -32.21 68.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.388 177.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -63.91 -47.17 81.61 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.429 ' O ' HG23 ' A' ' 31' ' ' VAL . 62.0 mtt -56.74 -49.03 76.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.567 174.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -52.13 -56.37 14.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.735 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -56.32 -53.95 51.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.313 -177.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.623 HG12 ' HB2' ' A' ' 36' ' ' PHE . 94.6 t -69.35 -34.3 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -173.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 27' ' ' MET . 95.9 t -80.56 -28.04 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.012 0.434 . . . . 0.0 110.822 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -84.15 -28.84 27.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.95 0.405 . . . . 0.0 110.383 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.535 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 67.9 p -89.56 157.76 17.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.338 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.675 ' HA ' ' HB3' ' A' ' 37' ' ' LYS . 8.3 m-20 -66.9 1.95 1.66 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -174.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.5 m -55.57 -53.7 53.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.719 0.295 . . . . 0.0 110.696 175.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.623 ' HB2' HG12 ' A' ' 30' ' ' VAL . 13.2 m-85 -127.38 9.88 6.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.884 0.374 . . . . 0.0 110.862 175.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.675 ' HB3' ' HA ' ' A' ' 34' ' ' ASP . 60.2 tttm -67.18 -13.83 62.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.542 177.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.06 -18.58 69.11 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.003 -0.618 . . . . 0.0 111.981 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -100.61 131.57 23.53 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -62.54 -68.37 0.04 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.292 1.995 . . . . 0.0 111.668 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 105' ' ' ALA . 47.1 mm -125.63 152.24 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.513 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.687 ' HB2' ' HB3' ' A' ' 102' ' ' LEU . 72.5 m-85 -103.02 -173.07 2.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.413 0.625 . . . . 0.0 111.907 -172.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -130.31 178.98 6.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.714 -176.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.582 ' O ' ' HB ' ' A' ' 47' ' ' THR . 64.4 m170 -81.77 -10.41 59.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.319 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.94 -40.61 62.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.24 0.543 . . . . 0.0 110.207 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -70.45 -19.85 62.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.953 173.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.582 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 94.9 m -62.05 -64.67 0.86 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.166 172.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.733 ' HD3' ' HB3' ' A' ' 132' ' ' LYS . 31.8 ptt85 -53.98 -40.27 66.75 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.751 0.31 . . . . 0.0 110.961 -178.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -63.12 -55.92 21.18 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.666 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -66.43 -36.72 83.5 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 47' ' ' THR . 43.6 mm -62.08 -51.9 66.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -62.11 -36.91 83.19 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.596 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -57.98 -38.44 76.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.984 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.412 ' CE2' ' HA ' ' A' ' 19' ' ' HIS . 64.5 t80 -75.67 -33.79 60.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.739 0.304 . . . . 0.0 110.285 178.369 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 51' ' ' ILE . 72.6 mt -60.45 -42.58 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.111 0.481 . . . . 0.0 110.364 177.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.23 -30.13 64.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.4 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -62.25 -33.87 75.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.684 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -67.56 -46.83 71.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.209 177.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 32.7 t70 -69.41 -6.77 32.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.676 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.8 m -73.43 -26.58 61.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.875 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -71.35 -24.72 62.15 Favored 'General case' 0 C--N 1.335 -0.057 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.136 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 0.6 OUTLIER -56.46 -45.84 80.68 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.043 174.872 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -55.65 -46.32 77.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.194 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -67.51 -34.89 78.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.122 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 120.986 0.422 . . . . 0.0 110.297 175.462 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.457 -0.655 0 N-CA-C 111.534 -0.218 . . . . 0.0 111.534 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.4 m -48.97 -37.42 20.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.816 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -74.37 -62.67 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -73.54 -24.34 60.11 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -170.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -66.6 -51.58 54.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.109 0.481 . . . . 0.0 109.749 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.506 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 65.9 t -64.57 -40.71 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.849 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 57.5 tp -58.71 -43.98 90.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 177.266 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -51.97 67.5 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -56.82 -42.48 79.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.72 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 97.3 mt-30 -62.38 -29.52 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.74 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 81' ' ' LEU . 34.2 mtm180 -64.94 -42.04 95.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.227 0.537 . . . . 0.0 109.764 177.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.8 ttp85 -73.6 -41.85 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.568 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -44.8 95.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.365 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -63.94 -42.64 97.27 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.707 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -67.26 -37.36 83.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.1 mt -67.77 -25.59 65.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.768 0.318 . . . . 0.0 111.094 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -70.05 -45.7 66.55 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -71.81 -32.65 67.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.287 176.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -53.31 -39.78 64.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.313 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -69.91 -39.73 76.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.656 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -99.35 3.4 45.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -173.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.497 ' HA2' ' HA ' ' A' ' 130' ' ' ASN . . . 106.27 108.83 3.34 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.937 -178.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -97.08 145.08 26.33 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 -176.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.2 tp -69.77 103.82 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.648 ' HB2' HD12 ' A' ' 129' ' ' ILE . 42.6 m -128.15 147.35 63.08 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.204 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.48 138.08 29.12 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 121.975 1.783 . . . . 0.0 111.247 175.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -74.43 104.59 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.031 0.443 . . . . 0.0 110.589 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.687 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 35.4 mt -71.18 -10.98 60.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.778 -177.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 p -93.96 20.79 7.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.918 0.39 . . . . 0.0 111.115 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.568 ' O ' ' HG2' ' A' ' 108' ' ' MET . 25.1 t70 -127.44 115.49 18.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.147 174.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.42 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -59.54 -39.35 83.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.389 -175.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.434 ' O ' ' HD1' ' A' ' 110' ' ' PHE . 73.9 tttt -68.07 -39.56 82.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.341 -177.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -58.9 -41.4 87.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.096 0.474 . . . . 0.0 110.129 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.568 ' HG2' ' O ' ' A' ' 104' ' ' ASP . 90.4 mmm -66.46 -35.16 79.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.831 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -59.05 -49.59 77.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.763 176.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.434 ' HD1' ' O ' ' A' ' 106' ' ' LYS . 35.8 m-85 -62.91 -42.95 99.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.462 177.271 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.8 -40.38 95.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.029 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -76.43 -9.02 58.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.759 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -121.44 19.37 11.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.892 0.377 . . . . 0.0 110.666 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.696 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 15.8 t90 -66.46 117.8 9.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.197 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -90.06 8.31 33.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.266 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 90.28 11.32 62.94 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.468 -176.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.411 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 13.3 m -79.44 127.12 31.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.364 -0.418 . . . . 0.0 110.924 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -74.82 -26.24 59.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.91 0.386 . . . . 0.0 110.654 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -68.17 -29.82 73.49 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.837 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 120' ' ' LEU . 4.2 tt -65.29 -18.69 65.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.094 0.473 . . . . 0.0 110.252 -178.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.452 ' HA ' HD12 ' A' ' 124' ' ' LEU . 83.9 mt -64.79 -25.28 67.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.876 0.37 . . . . 0.0 110.49 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -78.68 -12.99 60.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.199 0.523 . . . . 0.0 110.458 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 69.8 p -104.36 9.06 35.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.361 0.601 . . . . 0.0 110.164 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 121' ' ' LEU . 68.8 mt -104.86 151.83 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.064 177.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -88.89 74.36 8.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.44 0.638 . . . . 0.0 109.742 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.9 mt -86.67 105.89 17.23 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.762 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 40.6 pt -108.86 178.26 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.601 -176.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.591 ' HG2' HG21 ' A' ' 136' ' ' VAL . 40.4 ttt180 -101.01 111.74 24.02 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.648 HD12 ' HB2' ' A' ' 99' ' ' CYS . 54.6 mt -104.42 122.62 57.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.031 0.444 . . . . 0.0 110.804 -177.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.557 ' HB2' HG22 ' A' ' 136' ' ' VAL . 59.7 t30 -82.62 132.19 35.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.357 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.2 t70 51.38 -91.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 O-C-N 124.443 1.089 . . . . 0.0 112.259 171.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.733 ' HB3' ' HD3' ' A' ' 48' ' ' ARG . 99.4 mttt -132.42 83.24 2.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.114 0.483 . . . . 0.0 111.051 -174.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 70.19 37.16 71.88 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.989 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -114.23 157.25 22.95 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.675 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -94.7 122.6 37.47 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.848 -174.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.591 HG21 ' HG2' ' A' ' 128' ' ' ARG . 91.8 t -85.56 111.03 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.033 0.444 . . . . 0.0 110.368 176.338 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.4 m . . . . . 0 C--N 1.32 -0.687 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.906 176.981 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 C--O 1.225 -0.205 0 CA-C-O 120.576 0.226 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -49.89 -34.25 19.67 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.771 0.428 . . . . 0.0 111.681 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -80.59 -45.2 17.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.37 -177.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 21' ' ' LEU . 5.8 mp -71.67 -31.86 67.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.899 0.381 . . . . 0.0 110.03 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.12 -25.26 67.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 176.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.2 ttm-85 -65.87 -43.26 88.88 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 27' ' ' MET . 96.9 t -69.17 -37.05 75.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.224 174.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -62.15 -41.25 98.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.755 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.463 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 60.2 t80 -62.55 -41.67 99.05 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.58 ' O ' HG22 ' A' ' 31' ' ' VAL . 59.0 mtt -53.19 -48.67 67.86 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 172.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -56.31 -54.36 46.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.064 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -54.36 -44.74 72.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.874 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 26' ' ' PHE . 69.5 t -59.88 -49.01 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.064 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.657 HG23 ' HG2' ' A' ' 112' ' ' ARG . 20.2 m -90.83 2.75 7.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -173.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -110.15 -23.9 11.01 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.781 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 79.6 p -93.1 171.96 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 176.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.579 ' HA ' ' HB2' ' A' ' 37' ' ' LYS . 24.6 t70 -76.29 -1.7 27.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.859 0.361 . . . . 0.0 110.8 -177.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.413 HG22 ' CD1' ' A' ' 36' ' ' PHE . 55.7 m -55.03 -49.52 71.36 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.288 175.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD1' HG22 ' A' ' 35' ' ' THR . 31.9 m-85 -135.84 26.13 3.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 175.465 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.579 ' HB2' ' HA ' ' A' ' 34' ' ' ASP . 60.3 tttp -53.92 -30.48 46.5 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.263 176.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.17 -31.51 79.44 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.668 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -116.91 93.04 40.63 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 176.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -76.65 -22.41 12.05 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.432 2.088 . . . . 0.0 113.013 -176.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 105' ' ' ALA . 27.6 mm -118.97 133.62 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -177.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.539 ' HB3' ' HB2' ' A' ' 46' ' ' HIS . 16.0 m-85 -110.67 152.32 26.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.097 0.475 . . . . 0.0 111.344 -178.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -86.51 165.56 16.16 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 171.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.668 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 65.3 m170 -57.91 -18.17 21.35 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.825 0.345 . . . . 0.0 111.309 178.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.26 -37.82 78.56 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 174.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.539 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 83.9 m-70 -78.59 -17.62 55.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.433 178.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 91.8 m -62.67 -61.88 2.12 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.503 ' HB3' ' HA ' ' A' ' 132' ' ' LYS . 21.6 ptt85 -61.24 -29.81 70.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.243 0.544 . . . . 0.0 109.936 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.98 -63.03 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.011 177.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.463 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 44.1 m-85 -74.72 -40.79 61.09 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -175.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.2 mm -63.44 -50.42 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.028 -177.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.543 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 59.5 tp60 -63.19 -47.02 84.34 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.906 -178.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.461 ' HA ' ' HB2' ' A' ' 56' ' ' GLU . 66.9 m -69.58 -25.29 63.9 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.722 0.296 . . . . 0.0 111.751 -177.699 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.526 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 50.4 t80 -64.34 -36.81 85.33 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 173.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.431 HG12 ' OE1' ' A' ' 89' ' ' GLU . 63.9 mt -71.73 -43.43 70.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.826 174.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 52' ' ' GLN . 45.5 mt-10 -59.6 -16.39 25.41 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.23 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.526 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 34.4 mtt85 -61.99 -12.05 16.64 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 111.485 174.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -65.86 -26.39 67.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.452 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -31.57 72.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.986 0.422 . . . . 0.0 110.343 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.9 m -75.68 -35.26 60.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.457 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -74.54 -35.47 63.12 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.92 -48.21 79.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.613 174.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.45 -33.67 72.89 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.796 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.5 -48.73 80.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.629 174.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.443 0.64 . . . . 0.0 110.748 178.421 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo . . . . . 0 CA--C 1.527 0.148 0 CA-C-O 120.493 0.122 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.7 m -65.62 -29.36 69.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.897 0.379 . . . . 0.0 111.269 -176.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -79.06 -53.47 6.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.984 0.421 . . . . 0.0 110.55 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -70.57 -39.14 74.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.351 -173.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -62.0 -42.19 98.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.066 0.46 . . . . 0.0 110.855 -175.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.405 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 59.8 t -74.09 -32.48 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.504 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.09 -34.27 75.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.424 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.01 -45.81 91.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.626 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -58.81 -40.88 85.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.69 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 80.6 mt-30 -66.76 -20.72 66.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -178.122 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 85' ' ' ARG . 24.8 mmt180 -77.8 -34.35 52.19 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 174.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -63.96 -42.68 97.2 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 171.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.45 -45.15 65.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.07 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -62.07 -50.32 72.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.194 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.431 ' OE1' HG12 ' A' ' 55' ' ' ILE . 10.6 mm-40 -53.12 -52.58 58.23 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.946 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 90' ' ' LEU . 4.1 mm? -67.1 -36.86 82.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.71 -177.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -61.53 -49.61 76.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.975 0.417 . . . . 0.0 110.527 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -72.56 -30.36 64.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.619 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.763 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 17.7 t80 -64.26 -40.05 95.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.719 178.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -88.1 0.37 56.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.434 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.12 10.88 33.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.174 0.512 . . . . 0.0 110.147 176.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.59 85.29 1.6 Allowed Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.763 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 22.5 t80 -82.88 142.69 31.28 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -177.495 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.0 tp -78.21 101.54 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.957 0.408 . . . . 0.0 110.715 -177.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.665 ' HB2' HD12 ' A' ' 129' ' ' ILE . 80.5 m -128.59 157.61 74.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.22 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -81.02 147.17 16.5 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.427 2.085 . . . . 0.0 111.283 174.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -77.72 102.57 7.18 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.498 ' HA ' ' SD ' ' A' ' 108' ' ' MET . 80.5 mt -64.19 -18.48 64.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.295 -174.307 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.4 p -88.18 5.09 43.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.739 0.304 . . . . 0.0 111.754 -175.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 108' ' ' MET . 15.9 t70 -102.2 106.64 17.51 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 173.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.513 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -64.75 -25.64 68.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.87 -173.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -73.32 -50.0 24.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.344 0.593 . . . . 0.0 109.78 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.427 ' HA ' HD22 ' A' ' 107' ' ' ASN . 4.4 m120 -67.78 -30.09 69.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.919 176.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.513 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 93.0 mmm -66.37 -28.12 68.4 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.8 174.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -68.3 -37.15 80.33 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.34 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -62.99 -38.83 92.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.031 0.443 . . . . 0.0 110.14 171.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.407 HD21 ' HB3' ' A' ' 27' ' ' MET . 9.0 tt -71.56 -42.98 67.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.09 -177.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.657 ' HG2' HG23 ' A' ' 31' ' ' VAL . 52.5 mtp180 -68.32 -25.83 65.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.071 0.463 . . . . 0.0 110.814 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -108.59 21.18 17.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.781 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 44.0 t90 -66.39 157.3 32.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.549 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -147.17 174.66 11.38 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -71.81 63.23 1.23 Allowed Glycine 0 CA--C 1.519 0.343 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.741 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.3 m -133.66 118.18 17.87 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -63.67 -28.98 70.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.93 0.395 . . . . 0.0 110.538 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.12 -20.72 63.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.884 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 48.2 mt -73.69 -11.71 60.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 111.131 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.4 -6.74 59.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.271 0.558 . . . . 0.0 109.549 175.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -96.99 -23.1 16.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.667 174.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 45.4 p -85.33 -18.9 32.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.221 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 58.9 mt -89.73 125.55 35.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.517 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.423 ' HB3' ' OD1' ' A' ' 107' ' ' ASN . 21.0 ttt85 -75.95 82.13 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.695 0.759 . . . . 0.0 109.047 174.291 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.7 mt -85.49 133.7 34.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.299 -177.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.417 HD12 ' OE1' ' A' ' 135' ' ' GLN . 23.9 pt -122.86 173.61 8.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.447 -175.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 29.9 mtt180 -96.76 125.19 41.04 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.096 0.474 . . . . 0.0 110.277 175.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.665 HD12 ' HB2' ' A' ' 99' ' ' CYS . 54.9 mt -119.45 136.83 55.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.804 -177.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.4 ' HB3' ' HB3' ' A' ' 134' ' ' GLU . 6.9 t30 -109.2 122.45 47.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.544 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 42.4 m-20 49.2 -93.42 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 171.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.503 ' HA ' ' HB3' ' A' ' 48' ' ' ARG . 76.2 mttt -87.61 25.46 1.47 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.778 -167.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.668 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 84.86 28.26 32.21 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.3 -0.952 . . . . 0.0 111.476 -177.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 130' ' ' ASN . 30.4 tt0 -80.92 140.28 35.39 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -177.257 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.417 ' OE1' HD12 ' A' ' 127' ' ' ILE . 57.1 tp60 -78.89 114.56 17.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.389 -174.319 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.6 t -102.08 100.14 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 173.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.278 -176.57 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.463 HG12 ' HB2' ' A' ' 22' ' ' ALA . 29.2 t . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -57.63 -26.98 62.37 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -92.05 -54.98 3.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.202 0.525 . . . . 0.0 110.292 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.84 -34.38 78.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.573 -172.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.463 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -65.52 -31.17 72.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.351 . . . . 0.0 111.442 -176.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -70.38 -33.83 71.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.027 0.442 . . . . 0.0 109.982 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.1 t -68.54 -39.31 80.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.262 176.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -70.78 -34.74 72.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.133 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -60.83 -45.65 93.63 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 120.614 -0.434 . . . . 0.0 109.847 175.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.626 ' O ' HG23 ' A' ' 31' ' ' VAL . 67.5 mtt -54.56 -53.91 48.32 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.773 175.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.442 ' HG3' ' HA ' ' A' ' 112' ' ' ARG . 33.4 tt0 -50.49 -54.58 21.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.614 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.0 -43.16 81.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.026 -176.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.684 HG12 ' HB2' ' A' ' 36' ' ' PHE . 59.8 t -78.02 -37.7 23.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.985 -176.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 27' ' ' MET . 98.2 t -65.2 -39.06 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 121.1 0.476 . . . . 0.0 110.058 177.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.45 -18.18 52.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.43 178.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 28.9 t -83.04 153.27 25.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.205 177.095 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.94 -16.26 63.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.05 0.453 . . . . 0.0 109.877 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.6 m -48.59 -44.99 37.4 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.653 177.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.684 ' HB2' HG12 ' A' ' 30' ' ' VAL . 8.0 m-85 -137.92 15.17 2.87 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.062 0.394 . . . . 0.0 112.062 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 33' ' ' SER . 29.0 ttpt -64.74 -17.35 64.06 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.157 0.503 . . . . 0.0 109.96 175.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.25 -30.15 63.94 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.957 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -95.71 127.57 40.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 176.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.5 -59.29 0.9 Allowed 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.37 2.046 . . . . 0.0 111.079 176.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mm -129.56 153.94 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.008 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.617 ' CE1' HG22 ' A' ' 31' ' ' VAL . 14.1 m-85 -87.0 -165.03 1.18 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.948 0.404 . . . . 0.0 111.772 -174.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -130.9 163.97 26.3 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -176.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.636 ' O ' ' HB ' ' A' ' 47' ' ' THR . 32.6 m170 -71.78 -29.67 64.72 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 174.37 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.17 -32.77 74.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.385 0.612 . . . . 0.0 109.818 173.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -78.53 -15.28 58.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.329 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.636 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 37.0 m -64.81 -55.62 18.51 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 170.229 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' A' ' 132' ' ' LYS . 51.7 ttp180 -54.34 -40.66 68.25 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 121.026 0.441 . . . . 0.0 110.086 177.265 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -65.49 -44.64 86.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.147 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.34 -37.4 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.982 0.42 . . . . 0.0 111.347 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.512 ' O ' HG13 ' A' ' 55' ' ' ILE . 22.6 mm -66.9 -43.44 89.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.287 176.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -64.36 -37.84 88.92 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.552 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 p -68.08 -36.23 79.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.054 0.454 . . . . 0.0 110.726 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -68.28 -25.66 65.26 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 51' ' ' ILE . 68.7 mt -83.71 -16.62 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.872 0.844 . . . . 0.0 109.744 174.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -76.14 -21.28 56.77 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 173.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -53.51 -54.3 39.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.449 174.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -66.41 -28.68 68.81 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.787 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.1 -28.82 68.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.34 0.59 . . . . 0.0 109.914 173.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.432 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 23.6 m -81.78 -27.05 33.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.226 177.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -74.08 -35.52 64.24 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 172.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.639 HD12 HD12 ' A' ' 65' ' ' LEU . 55.7 tp -70.05 -22.42 63.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.127 174.152 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 60' ' ' THR . 28.6 t70 -64.12 -27.11 68.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.792 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -62.98 -44.03 97.17 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.584 175.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.639 HD12 HD12 ' A' ' 62' ' ' LEU . 91.2 mt . . . . . 0 C--N 1.327 -0.409 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo . . . . . 0 CA--C 1.511 -0.634 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.2 m -62.31 -36.58 82.59 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 173.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -61.15 -30.95 70.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.615 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -98.58 -49.14 4.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.094 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.477 ' HG3' HD11 ' A' ' 62' ' ' LEU . 48.0 tt0 -57.37 -44.55 84.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.815 0.341 . . . . 0.0 111.018 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.515 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 92.5 t -72.44 -41.31 64.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.403 -177.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.72 -41.65 97.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.402 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.6 -45.43 86.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.254 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -61.79 -34.24 75.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.297 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 82.8 mt-30 -56.63 -35.88 68.84 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.552 0.215 . . . . 0.0 111.065 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -69.41 -38.77 78.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.926 0.394 . . . . 0.0 110.261 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 55.9 ttt85 -63.99 -51.56 63.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.576 177.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.74 -37.38 87.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.208 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -61.69 -47.24 86.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.97 0.414 . . . . 0.0 110.406 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -61.27 -48.16 82.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.011 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 94.7 mt -60.62 -36.59 78.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.24 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -66.27 -31.92 73.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.538 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -73.44 -44.13 58.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -65.08 -28.13 69.25 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.021 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -70.07 -16.88 63.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.612 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -115.4 9.45 15.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 110.367 177.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.54 122.77 2.85 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.148 -177.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -115.35 155.5 27.23 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.2 tp -73.74 106.5 5.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.081 0.467 . . . . 0.0 109.935 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.46 ' HB3' HD12 ' A' ' 129' ' ' ILE . 52.8 t -128.21 142.16 43.66 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.882 -177.235 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.515 ' HG2' ' SD ' ' A' ' 27' ' ' MET . 29.3 Cg_endo -65.87 134.35 37.1 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 121.927 1.751 . . . . 0.0 111.122 175.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.19 130.66 42.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.945 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.598 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 50.6 mt -104.09 23.82 12.39 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.491 -176.101 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.6 p -113.19 -33.55 5.95 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.457 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -79.19 125.93 30.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.944 0.402 . . . . 0.0 110.176 176.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.01 -24.78 58.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.741 -173.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -74.59 -45.83 42.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -56.17 -45.3 79.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.121 174.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 14.9 mtp -69.21 -30.59 68.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.44 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -70.5 -41.08 73.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.752 0.31 . . . . 0.0 110.347 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -64.27 -38.35 90.75 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.68 -39.37 88.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.422 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.442 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 14.6 mtp85 -70.05 -19.38 63.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.891 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -118.49 19.16 13.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.237 0.541 . . . . 0.0 110.535 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -72.92 142.73 47.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.122 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -134.85 -179.32 5.53 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -70.78 77.21 0.52 Allowed Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.993 -0.623 . . . . 0.0 113.071 -175.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 119' ' ' GLY . 84.1 m -152.65 125.95 8.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.698 0.285 . . . . 0.0 110.452 178.126 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -72.48 -23.43 61.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.721 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.463 ' H ' HG22 ' A' ' 117' ' ' THR . . . -61.94 -34.14 87.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.248 176.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 120' ' ' LEU . 2.0 tt -66.42 -21.15 66.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.589 0.709 . . . . 0.0 109.905 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.488 HD23 HD12 ' A' ' 124' ' ' LEU . 87.1 mt -76.57 0.17 21.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.517 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -93.04 -27.68 16.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.143 172.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 43.7 p -82.14 -31.11 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.488 HD12 HD23 ' A' ' 121' ' ' LEU . 51.1 mt -73.81 111.43 8.96 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.161 172.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 63.7 mtt85 -78.33 73.6 4.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.831 0.824 . . . . 0.0 109.926 176.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.407 HD11 HD22 ' A' ' 121' ' ' LEU . 31.3 mt -76.6 127.39 32.72 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.572 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.536 HD12 ' HG3' ' A' ' 135' ' ' GLN . 24.3 pt -106.52 176.12 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.208 -175.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -96.63 111.22 23.45 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.46 HD12 ' HB3' ' A' ' 99' ' ' CYS . 38.1 mt -110.77 128.07 67.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.1 -174.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -91.2 120.47 32.15 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.424 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 9.8 p-10 26.62 -73.74 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.481 ' HA ' ' HD3' ' A' ' 48' ' ' ARG . 49.1 mttt -67.49 -15.74 63.83 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -171.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.444 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 110.16 18.14 8.95 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -171.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -83.07 119.29 24.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.865 -0.668 . . . . 0.0 110.178 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.536 ' HG3' HD12 ' A' ' 127' ' ' ILE . 49.6 tt0 -69.34 117.27 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.154 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 31.8 t -82.71 97.68 4.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.192 -177.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 23.1 m . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.979 177.57 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -23.21 66.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 179.166 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -80.6 -64.13 1.26 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.062 0.458 . . . . 0.0 110.736 174.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.1 -35.12 79.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.438 -171.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.11 -31.12 69.74 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -71.24 -40.95 70.74 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.258 0.551 . . . . 0.0 109.833 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.4 t -68.12 -36.23 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.986 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -62.13 -40.24 95.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.728 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.518 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 75.6 t80 -59.73 -43.39 94.23 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 178.02 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.49 ' O ' HG23 ' A' ' 31' ' ' VAL . 57.2 mtt -54.39 -50.6 67.16 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.315 174.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 111' ' ' LEU . 40.1 tt0 -54.77 -53.0 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.013 176.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -56.49 -42.29 78.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.13 -177.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 26' ' ' PHE . 79.7 t -62.44 -41.59 92.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.56 -179.081 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 27' ' ' MET . 47.8 t -71.39 -35.87 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.068 0.461 . . . . 0.0 111.039 -178.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -81.95 -23.17 36.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.375 -176.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 48.1 t -90.49 149.78 22.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.391 -177.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.56 -4.37 11.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.344 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.2 m -57.31 -45.83 83.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.773 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.506 ' HB3' ' HZ ' ' A' ' 42' ' ' PHE . 26.8 m-85 -136.14 17.45 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.208 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 33' ' ' SER . 32.9 ttpt -56.78 -28.89 62.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.852 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.01 -19.2 63.28 Favored Glycine 0 C--N 1.333 0.368 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.778 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -113.65 96.19 39.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -61.83 -31.92 85.41 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.849 2.366 . . . . 0.0 113.032 -174.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 105' ' ' ALA . 31.1 mm -119.9 147.26 23.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.787 0.327 . . . . 0.0 110.221 -179.098 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.616 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 64.5 m-85 -115.2 -156.82 0.62 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.796 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 11.6 t70 -157.05 174.78 14.99 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -178.384 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.449 ' O ' ' HB ' ' A' ' 47' ' ' THR . 15.7 m-70 -63.42 -22.69 67.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.006 0.431 . . . . 0.0 110.365 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.1 83.31 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.477 173.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.542 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 88.1 m-70 -82.9 -17.4 43.85 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.449 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 98.5 m -61.26 -61.8 2.3 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.86 172.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.469 ' HB3' ' C ' ' A' ' 132' ' ' LYS . 49.1 ptt85 -56.73 -42.88 80.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.147 179.132 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.542 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 29.2 mt-10 -49.91 -61.2 2.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.531 176.48 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.518 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 14.0 m-85 -74.3 -38.54 63.34 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -174.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.497 ' O ' HG13 ' A' ' 55' ' ' ILE . 34.9 mm -64.49 -46.33 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.939 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 85.2 mm-40 -63.43 -38.0 89.44 Favored 'General case' 0 N--CA 1.461 0.077 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 178.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.4 m -63.84 -37.48 87.55 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 110.661 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 22.4 t80 -67.1 -32.75 74.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 51' ' ' ILE . 68.9 mt -68.1 -29.09 43.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.261 0.553 . . . . 0.0 110.017 175.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 51.9 mt-10 -71.12 -24.59 62.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.434 175.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 54' ' ' PHE . 94.8 mtt180 -66.63 -27.91 68.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.227 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -68.97 -26.19 64.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.327 0.584 . . . . 0.0 109.857 174.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.451 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 13.7 t70 -73.38 -22.89 60.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.442 177.015 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.4 m -63.08 -36.52 83.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.097 0.475 . . . . 0.0 110.226 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -79.39 -21.43 45.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.332 0.586 . . . . 0.0 110.019 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.493 HD13 ' HB3' ' A' ' 82' ' ' LEU . 49.9 tp -71.26 -37.71 71.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.402 174.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.54 -22.67 60.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.234 176.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -66.73 -30.41 70.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.61 173.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.44 HD11 ' HB2' ' A' ' 82' ' ' LEU . 99.9 mt . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.692 173.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.501 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 38.6 Cg_exo . . . . . 0 C--O 1.23 0.118 0 CA-C-O 120.453 0.105 . . . . 0.0 112.127 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 80' ' ' VAL . 1.6 m -59.07 -52.88 63.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.013 0.435 . . . . 0.0 110.878 -178.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -71.37 -46.48 60.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.307 -174.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.501 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 79.5 mtt-85 -65.14 -37.83 88.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.308 -174.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -67.14 -38.27 85.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.054 0.454 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 76' ' ' SER . 92.0 t -70.58 -34.21 56.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.427 177.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.2 tp -59.94 -43.27 95.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.818 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.493 ' HB3' HD13 ' A' ' 62' ' ' LEU . 2.0 tm? -60.64 -47.01 88.13 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 175.201 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -54.39 -47.66 72.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.532 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -64.17 -38.82 92.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.716 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -66.66 -47.55 72.17 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.38 0.61 . . . . 0.0 110.325 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -60.7 -40.84 93.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.125 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.98 -36.83 84.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.232 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -60.65 -48.46 81.68 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.573 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -71.37 -31.26 67.12 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.481 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.06 -44.17 96.55 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -60.85 -44.02 97.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.127 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.05 -39.41 93.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.66 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.748 ' CE2' ' HA ' ' A' ' 131' ' ' ASP . 31.7 t80 -61.7 -38.56 88.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.172 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -78.04 3.05 15.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.045 0.45 . . . . 0.0 111.404 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.07 -2.51 34.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.083 0.468 . . . . 0.0 110.291 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.19 82.71 1.29 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.787 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.525 ' HB2' ' HD1' ' A' ' 93' ' ' PHE . 34.2 t80 -80.46 155.45 27.06 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -177.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 37.4 tp -78.25 96.06 5.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.119 0.485 . . . . 0.0 110.485 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.606 ' HB2' HD12 ' A' ' 129' ' ' ILE . 80.7 m -128.54 144.23 51.34 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.122 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.666 ' HA ' ' HA ' ' A' ' 126' ' ' LEU . 55.3 Cg_endo -71.49 164.0 37.16 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.086 1.857 . . . . 0.0 111.994 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.96 -43.49 98.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.24 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.616 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 17.1 tp 76.71 -18.68 0.47 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.369 173.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.796 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 4.0 p -106.56 13.92 27.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.159 0.504 . . . . 0.0 111.371 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 13.6 t70 -108.72 131.96 54.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.765 177.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.475 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -67.2 -40.87 86.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.8 0.333 . . . . 0.0 111.682 -176.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' A' ' 106' ' ' LYS . 8.2 mtmp? -68.18 -33.61 74.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.217 0.532 . . . . 0.0 109.706 178.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.499 ' HA ' ' HD2' ' A' ' 110' ' ' PHE . 6.1 t30 -57.47 -41.7 81.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.208 173.409 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 15.9 mmt -67.65 -29.31 68.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.474 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.99 -41.8 99.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.499 ' HD2' ' HA ' ' A' ' 107' ' ' ASN . 51.2 m-85 -60.99 -42.18 97.93 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.643 177.331 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 28' ' ' GLN . 9.6 mp -62.16 -47.8 82.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.822 0.344 . . . . 0.0 110.696 177.113 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -73.76 -0.44 15.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.45 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -117.9 1.13 12.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.608 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.468 ' HA ' HD13 ' A' ' 120' ' ' LEU . 19.8 t90 -74.06 108.57 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.413 0.625 . . . . 0.0 110.69 -175.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -93.32 -16.88 24.21 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.566 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 125.3 -12.18 7.57 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.33 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.557 HG22 ' H ' ' A' ' 119' ' ' GLY . 51.7 m -63.06 122.96 17.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.743 0.306 . . . . 0.0 110.923 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.571 ' HA ' HD23 ' A' ' 121' ' ' LEU . 54.0 t80 -65.53 -20.16 66.22 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.328 -178.425 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.557 ' H ' HG22 ' A' ' 117' ' ' THR . . . -62.01 -27.83 69.44 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 121.127 -0.558 . . . . 0.0 112.47 177.48 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 120' ' ' LEU . 2.7 tt -71.3 -21.15 62.11 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 121.176 0.513 . . . . 0.0 109.806 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 118' ' ' PHE . 4.5 mm? -73.32 -3.47 27.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.156 0.503 . . . . 0.0 110.807 -178.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -92.3 -35.7 13.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.733 172.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 39.6 p -86.96 -31.48 20.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.639 -175.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.491 ' HG ' ' CB ' ' A' ' 110' ' ' PHE . 1.9 tt -69.3 133.33 47.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.184 175.486 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.449 ' O ' ' HA ' ' A' ' 100' ' ' PRO . 40.9 ttm180 -78.06 85.49 4.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 0.0 111.451 -177.198 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.666 ' HA ' ' HA ' ' A' ' 100' ' ' PRO . 5.4 mp -103.81 128.07 51.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.684 171.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.427 HG13 HG13 ' A' ' 129' ' ' ILE . 18.9 pt -117.97 -171.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.156 -177.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 58.0 mtm180 -96.51 112.16 24.01 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.606 HD12 ' HB2' ' A' ' 99' ' ' CYS . 23.2 mt -114.42 133.9 59.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.241 -175.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.532 ' HB2' ' CG2' ' A' ' 136' ' ' VAL . 43.1 t-20 -106.12 109.22 21.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.427 -176.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.748 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 11.0 t0 58.45 -82.79 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 166.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.469 ' C ' ' HB3' ' A' ' 48' ' ' ARG . 14.0 mptt -90.97 29.75 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.492 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 82.46 17.05 69.62 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.6 176.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -81.03 135.81 35.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.151 0.5 . . . . 0.0 111.243 -174.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -62.16 118.87 7.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.369 177.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.532 ' CG2' ' HB2' ' A' ' 130' ' ' ASN . 94.1 t -93.0 127.18 45.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.366 -0.379 . . . . 0.0 109.992 173.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 24.1 m . . . . . 0 C--N 1.321 -0.635 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 176.839 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mmm . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.927 0.394 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -104.27 144.35 31.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.589 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -111.0 150.99 28.49 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 168.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -68.9 164.89 21.09 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -67.85 -27.91 67.1 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.047 0.451 . . . . 0.0 110.075 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.0 tt -83.2 133.18 29.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.098 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.44 160.51 17.5 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.81 102.79 0.5 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.997 0.427 . . . . 0.0 110.746 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.31 146.02 45.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.909 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -114.19 165.35 12.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.181 0.515 . . . . 0.0 112.064 -165.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -96.87 147.52 23.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.694 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mp -88.29 -31.65 18.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.97 0.414 . . . . 0.0 110.908 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -93.8 133.39 37.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.72 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -74.4 129.72 38.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.889 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -80.61 149.87 29.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.085 0.469 . . . . 0.0 111.11 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.571 ' HD2' ' HD1' ' A' ' 118' ' ' PHE . 54.2 mttp -89.47 145.17 25.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.188 173.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -89.41 157.46 18.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.034 0.445 . . . . 0.0 111.039 -174.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.5 m -64.84 -12.58 13.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.225 -174.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -63.66 -27.74 69.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.957 0.408 . . . . 0.0 109.935 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 2.3 mp0 -91.55 -51.58 5.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.16 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.44 ' HG ' HD11 ' A' ' 121' ' ' LEU . 7.2 mp -70.67 -45.7 64.6 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -171.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -27.42 68.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.033 0.444 . . . . 0.0 110.785 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.435 ' NH2' ' HA ' ' A' ' 20' ' ' GLU . 36.5 ttp180 -62.99 -47.43 83.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.38 177.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.3 t -69.51 -40.14 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.307 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -58.72 -40.49 83.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.536 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.43 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.3 t80 -60.62 -53.09 61.65 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.294 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.486 ' O ' HG23 ' A' ' 31' ' ' VAL . 55.9 mtt -56.15 -46.59 79.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.863 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -58.1 -54.95 41.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.953 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.15 -38.95 80.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.293 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 26' ' ' PHE . 49.4 t -60.7 -41.49 88.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.251 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 27' ' ' MET . 58.8 t -73.4 -37.83 51.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.056 0.455 . . . . 0.0 110.694 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.42 ' OD1' ' HG3' ' A' ' 112' ' ' ARG . 5.8 m-20 -79.22 -17.56 54.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.29 -173.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.57 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 75.6 p -100.63 166.4 10.92 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.71 1.35 6.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.7 0.286 . . . . 0.0 110.868 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.5 m -54.99 -55.38 31.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.332 175.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.402 ' HB2' HG12 ' A' ' 30' ' ' VAL . 40.9 m-85 -136.91 29.38 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.287 176.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.57 ' HB2' ' O ' ' A' ' 33' ' ' SER . 8.1 tmtm? -57.73 -32.52 67.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.715 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.91 -16.51 72.6 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.719 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -102.51 113.8 65.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.05 0.452 . . . . 0.0 109.987 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -76.59 -45.61 0.19 Allowed 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.282 1.988 . . . . 0.0 112.475 -178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.455 ' CG2' ' HA ' ' A' ' 103' ' ' SER . 35.5 mm -130.67 151.15 35.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.716 -175.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.682 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 98.7 m-85 -116.47 -170.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.834 0.349 . . . . 0.0 110.401 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -133.04 -171.64 2.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.98 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.695 ' O ' ' HB ' ' A' ' 47' ' ' THR . 15.6 m170 -78.7 -18.66 53.98 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -177.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.05 -42.39 66.34 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 173.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -68.65 -22.73 64.39 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.206 173.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.695 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 22.9 m -55.26 -63.54 1.13 Allowed 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.042 172.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.53 ' HD2' ' HD3' ' A' ' 132' ' ' LYS . 54.6 ttt85 -57.7 -38.71 75.68 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.655 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.19 -57.05 10.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.994 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -77.12 -38.02 52.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.816 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.9 mm -61.98 -47.94 90.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.693 0.283 . . . . 0.0 111.01 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -65.29 -39.51 92.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.597 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.5 m -61.27 -38.55 87.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.742 0.306 . . . . 0.0 110.883 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -63.52 -41.35 98.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.824 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.3 mt -75.38 -52.89 17.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.048 0.451 . . . . 0.0 110.544 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -71.94 -1.39 14.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.269 -173.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -53.75 -25.03 16.94 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.117 0.485 . . . . 0.0 110.309 170.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -62.43 -31.81 72.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.292 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.12 -31.77 66.33 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.465 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.8 m -63.94 -35.37 80.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.363 0.601 . . . . 0.0 109.785 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.65 -39.0 38.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.747 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.532 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 47.4 tp -64.01 -30.8 71.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.338 177.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.2 -34.31 74.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.32 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 32.5 mt-10 -66.91 -31.13 71.52 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.449 176.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.547 HD22 ' HG2' ' A' ' 75' ' ' PRO . 79.7 mt -72.14 -38.13 69.29 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 175.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 85.2 mttt -65.46 -26.8 68.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.88 175.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -74.23 -47.47 35.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.775 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 64' ' ' GLU . 87.6 mttt -73.41 -5.91 42.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.97 -176.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.4 ttp85 -59.07 -33.51 70.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.315 172.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.8 mtm105 -78.42 -12.32 60.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 m -79.27 2.41 21.4 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 175.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.5 t30 72.15 23.44 3.37 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.647 176.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.2 ttm105 -146.3 82.27 9.08 Favored Pre-proline 0 N--CA 1.449 -0.513 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.694 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.503 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 68.5 Cg_endo -91.37 139.72 2.46 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.775 2.317 . . . . 0.0 111.928 174.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.547 ' HG2' HD22 ' A' ' 65' ' ' LEU . 3.9 Cg_exo -74.39 91.43 0.96 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.63 2.22 . . . . 0.0 111.287 177.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.9 m -51.6 -42.78 62.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.154 -174.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -88.88 -49.8 6.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.587 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 78' ' ' ARG . 50.3 mtt180 -71.73 -27.56 63.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -169.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.46 ' HG3' HD11 ' A' ' 62' ' ' LEU . 53.3 tt0 -68.25 -33.61 74.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.148 0.499 . . . . 0.0 109.852 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.502 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 61.4 t -77.0 -45.48 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.93 176.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.3 tp -57.3 -41.77 80.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.297 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.05 -44.74 94.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.63 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 53.4 tt0 -67.2 -31.66 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.117 0.484 . . . . 0.0 110.908 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 96.5 mt-30 -66.46 -32.18 73.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.096 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -67.07 -36.47 82.09 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 83' ' ' GLN . 32.2 ttm180 -56.65 -46.11 81.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.379 176.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -56.69 -42.88 79.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.633 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -65.29 -47.61 76.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.396 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.87 -41.01 97.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.318 . . . . 0.0 111.056 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.9 mt -66.58 -31.45 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.649 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -69.98 -35.36 74.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.344 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -71.29 -37.18 71.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.758 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.694 ' HD1' ' HB2' ' A' ' 97' ' ' PHE . 41.5 t80 -64.43 -40.22 95.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.233 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.86 -20.71 65.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.651 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -99.48 16.88 21.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.374 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.06 94.12 1.18 Allowed Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.698 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.694 ' HB2' ' HD1' ' A' ' 93' ' ' PHE . 3.3 t80 -75.39 143.21 42.89 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 44.5 tp -73.73 94.15 2.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.141 0.496 . . . . 0.0 109.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 44.2 t -128.04 145.75 56.54 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.607 -175.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.607 ' HB3' HD21 ' A' ' 107' ' ' ASN . 18.1 Cg_exo -65.11 151.41 85.72 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.977 1.784 . . . . 0.0 110.107 169.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -63.7 -29.83 71.0 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.682 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 10.9 tp 73.75 1.67 4.0 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.841 170.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.455 ' HA ' ' CG2' ' A' ' 41' ' ' ILE . 57.8 m -116.16 -13.11 11.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.033 0.444 . . . . 0.0 111.57 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.5 ' O ' ' HG2' ' A' ' 108' ' ' MET . 12.0 t70 -83.8 119.62 25.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.049 176.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.46 -19.98 62.15 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -173.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -74.09 -50.11 21.01 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.607 HD21 ' HB3' ' A' ' 100' ' ' PRO . 43.2 t30 -58.35 -45.29 88.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.622 176.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.529 ' SD ' HD12 ' A' ' 102' ' ' LEU . 91.3 mmm -64.31 -29.99 71.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.006 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -78.34 -38.21 42.64 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.04 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -63.16 -39.74 95.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.037 0.446 . . . . 0.0 109.92 171.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.65 -35.69 74.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.224 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.42 ' HG3' ' OD1' ' A' ' 32' ' ' ASN . 51.1 ttp180 -70.51 -31.76 68.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.988 176.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -97.62 19.44 13.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.798 -173.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.613 ' HA ' HD13 ' A' ' 120' ' ' LEU . 45.1 t90 -72.18 103.4 3.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.18 0.514 . . . . 0.0 110.296 176.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -93.24 36.37 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.597 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 68.95 39.48 85.11 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.471 -0.871 . . . . 0.0 111.01 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.745 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 7.6 m -98.49 131.09 45.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.536 -0.332 . . . . 0.0 110.627 -175.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.571 ' HD1' ' HD2' ' A' ' 16' ' ' LYS . 93.5 m-85 -79.0 -39.63 33.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.504 -177.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.6 -26.78 72.08 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.072 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.745 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 0.9 OUTLIER -68.15 -20.73 64.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.261 0.553 . . . . 0.0 109.987 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.44 HD11 ' HG ' ' A' ' 21' ' ' LEU . 97.1 mt -77.12 -2.57 34.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.735 -178.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -106.86 -22.69 12.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.263 0.554 . . . . 0.0 109.654 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 48.4 p -88.73 -12.62 41.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.882 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 120' ' ' LEU . 79.7 mt -76.07 153.59 36.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.664 177.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 125' ' ' ARG . 21.3 ttt180 -83.93 73.41 10.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.649 0.738 . . . . 0.0 109.234 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 83.9 mt -97.98 127.84 44.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.568 -176.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 19.6 pt -129.02 -179.25 2.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.998 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.503 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 10.7 mtp180 -100.32 116.52 32.48 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 176.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.575 HG21 HG21 ' A' ' 47' ' ' THR . 40.6 mt -114.9 132.44 64.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.31 -175.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -113.87 135.7 53.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.311 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.415 ' OD2' ' HG2' ' A' ' 132' ' ' LYS . 29.3 t0 56.98 -93.76 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 169.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.53 ' HD3' ' HD2' ' A' ' 48' ' ' ARG . 43.7 mmtm -101.23 14.93 30.43 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -171.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.675 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 103.47 32.39 4.56 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 119.876 -1.154 . . . . 0.0 111.166 -176.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -84.4 141.99 30.45 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -177.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -78.2 113.92 16.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.62 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 59.5 t -93.92 115.39 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.344 178.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.2 m -123.87 150.54 28.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.116 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -72.99 -26.57 70.72 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.167 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 127.71 86.73 0.55 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.461 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -114.66 5.26 15.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.098 0.475 . . . . 0.0 110.607 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.492 -0.766 . . . . 0.0 109.812 179.485 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 120.641 0.258 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -102.45 22.26 13.77 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -173.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.24 165.0 28.57 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.663 -175.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.38 136.06 44.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.496 170.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -69.48 -40.95 76.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.043 0.449 . . . . 0.0 110.087 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.539 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 9.0 pt -120.63 95.05 3.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.366 172.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.3 -53.06 3.46 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.304 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.99 -31.74 72.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.942 0.401 . . . . 0.0 110.826 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -100.85 17.48 22.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.085 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 82.3 tttt -84.57 -13.5 51.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.448 0.642 . . . . 0.0 109.581 177.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -119.15 131.93 55.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.331 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.7 mt -76.93 118.99 20.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.902 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -105.83 99.05 8.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.69 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -93.3 147.95 22.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.188 0.518 . . . . 0.0 111.325 -178.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -102.99 106.27 16.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.323 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -92.46 -17.73 24.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.183 -172.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -93.22 10.62 31.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.35 0.595 . . . . 0.0 109.847 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.416 HG22 ' HB2' ' A' ' 22' ' ' ALA . 9.2 p -59.69 -13.47 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.495 -178.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -53.43 -31.11 43.78 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.027 0.442 . . . . 0.0 110.441 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.608 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 44.9 mm-40 -95.11 -35.66 11.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.028 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 118' ' ' PHE . 5.9 mp -83.12 -26.81 30.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -170.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' HB2' HG22 ' A' ' 18' ' ' VAL . . . -56.5 -30.21 62.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.164 0.507 . . . . 0.0 110.909 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.608 ' NH2' ' HA ' ' A' ' 20' ' ' GLU . 2.2 ptp180 -75.82 -35.38 60.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.524 -177.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.43 -41.02 42.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.009 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -67.56 -35.8 79.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.303 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.509 ' O ' HG23 ' A' ' 30' ' ' VAL . 83.3 t80 -61.16 -49.27 77.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.365 176.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.6 mtt -58.04 -41.78 83.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.881 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -61.01 -44.96 96.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.979 0.419 . . . . 0.0 110.857 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -61.66 -44.11 97.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.446 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.81 HG12 ' HB2' ' A' ' 36' ' ' PHE . 58.9 t -68.8 -39.44 80.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.068 -174.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.0 m -74.02 -27.36 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 120.929 0.395 . . . . 0.0 111.506 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -84.11 -20.7 32.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.258 0.552 . . . . 0.0 110.655 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 36.8 t -89.93 159.91 16.69 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.718 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -72.13 -5.0 32.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.64 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.481 HG22 ' HD2' ' A' ' 36' ' ' PHE . 72.0 m -52.9 -56.48 15.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.728 174.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.81 ' HB2' HG12 ' A' ' 30' ' ' VAL . 10.4 m-85 -136.36 25.96 3.18 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 33' ' ' SER . 36.4 ttpt -66.89 -12.6 59.89 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.432 0.634 . . . . 0.0 110.0 176.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.36 -20.45 76.85 Favored Glycine 0 C--N 1.334 0.428 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.23 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -116.06 97.3 49.15 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 120.54 0.21 . . . . 0.0 110.508 176.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.24 -28.32 72.68 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.371 2.047 . . . . 0.0 111.147 175.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' ' 102' ' ' LEU . 33.7 mm -124.36 130.38 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.342 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -90.07 142.08 28.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.439 0.638 . . . . 0.0 111.816 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.42 ' CG ' ' HD1' ' A' ' 46' ' ' HIS . 2.1 p30 -82.85 173.24 12.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.364 172.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.645 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 25.2 m170 -86.94 -14.35 42.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.573 -173.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.2 -49.01 60.43 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 172.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.42 ' HD1' ' CG ' ' A' ' 43' ' ' ASP . 50.1 m80 -69.03 -22.09 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.375 174.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.539 ' OG1' ' HA ' ' A' ' 44' ' ' HIS . 53.8 m -58.92 -54.81 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 171.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -60.09 -40.06 88.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.07 0.462 . . . . 0.0 110.024 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.41 -49.35 76.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.602 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -69.04 -46.56 67.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.619 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 47' ' ' THR . 68.9 mt -58.45 -49.44 82.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.956 0.408 . . . . 0.0 110.892 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -64.9 -35.25 80.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.757 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.7 t -66.52 -33.21 75.17 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.103 0.477 . . . . 0.0 110.242 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -62.37 -47.63 83.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.189 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.4 mt -74.29 -17.43 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 121.711 0.767 . . . . 0.0 110.286 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.868 ' HA ' HH21 ' A' ' 86' ' ' ARG . 33.2 tt0 -80.57 -21.82 41.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.595 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.604 ' HD3' ' O ' ' A' ' 57' ' ' ARG . 3.5 tmt_? -59.4 -23.98 63.07 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.65 178.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -68.39 -9.29 47.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.124 -0.36 . . . . 0.0 111.698 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -30.71 70.86 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.8 m -63.71 -37.9 89.07 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.26 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.72 -45.72 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.118 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.474 ' HG ' ' HE2' ' A' ' 66' ' ' LYS . 24.2 tp -64.49 -33.5 76.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.839 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.86 -44.13 97.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.708 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -69.4 -27.67 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.179 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.88 -31.83 72.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.345 0.593 . . . . 0.0 109.691 173.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.474 ' HE2' ' HG ' ' A' ' 62' ' ' LEU . 60.8 mttm -80.49 -11.19 59.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.553 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -99.26 -32.68 11.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.656 -176.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.04 -1.93 34.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 111.835 -175.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -139.54 172.53 12.67 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -73.82 140.42 45.79 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.3 -0.56 . . . . 0.0 109.644 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.1 m -57.4 -17.62 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -172.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -63.4 -39.2 93.86 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.346 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -157.43 88.59 2.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 121.653 0.74 . . . . 0.0 111.37 175.513 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.407 ' CB ' ' HD2' ' A' ' 75' ' ' PRO . 2.8 Cg_exo -77.66 178.69 7.3 Favored 'Trans proline' 0 CA--C 1.534 0.505 0 C-N-CA 123.223 2.615 . . . . 0.0 110.978 173.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.655 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 1.5 Cg_endo -47.62 101.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.08 2.52 . . . . 0.0 113.017 177.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.7 m -67.82 -29.44 68.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.589 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -86.7 -42.14 13.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.349 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.655 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 65.1 mtt-85 -70.87 -31.57 68.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -175.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 75' ' ' PRO . 16.8 mt-30 -65.66 -38.79 90.32 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 94.6 t -71.32 -40.97 74.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.201 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.5 tp -60.04 -40.55 89.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.505 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.8 -43.81 74.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.237 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -56.6 -40.57 75.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.937 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 97.6 mt-30 -60.03 -38.72 83.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.476 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.595 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 5.1 ttp180 -74.15 -37.65 63.96 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.868 HH21 ' HA ' ' A' ' 56' ' ' GLU . 43.2 ttt180 -68.52 -34.82 76.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.527 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -65.52 -38.51 89.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.165 0.507 . . . . 0.0 109.88 174.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.424 ' HB3' ' O ' ' A' ' 85' ' ' ARG . 27.8 tt0 -58.91 -39.46 81.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.562 176.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 3.9 mm-40 -62.41 -46.36 88.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.892 177.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.42 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.4 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -57.39 -46.26 83.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.675 176.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.83 -36.49 72.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.299 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 1.008 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 47.0 t80 -65.45 -46.52 79.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.319 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.545 ' HD3' ' O ' ' A' ' 94' ' ' LYS . 9.2 tmtm? -70.3 -20.78 62.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.233 0.54 . . . . 0.0 110.222 -177.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.32 4.66 53.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.471 176.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.26 89.49 2.11 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.067 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 1.008 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 17.1 t80 -78.47 141.44 38.24 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -178.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 127' ' ' ILE . 30.3 tp -74.14 93.4 2.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.079 0.466 . . . . 0.0 111.325 -176.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.612 ' HB2' HD12 ' A' ' 129' ' ' ILE . 75.7 m -128.18 159.31 67.76 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.19 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.26 147.06 71.52 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.472 2.114 . . . . 0.0 111.455 175.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 103' ' ' SER . 3.4 m-20 -53.33 -36.28 61.12 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.251 176.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 41' ' ' ILE . 20.9 mt 71.45 -26.78 0.17 Allowed 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 114.717 -1.129 . . . . 0.0 112.519 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 101' ' ' ASP . 20.8 m -85.99 17.36 3.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.108 0.48 . . . . 0.0 110.781 -175.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -126.79 136.64 52.67 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.233 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.21 -30.41 57.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.868 -174.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 106' ' ' LYS . 29.0 mmtp -79.31 -32.73 43.56 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -58.53 -50.91 72.06 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 170.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 43.5 tpp -61.8 -30.34 70.75 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.309 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.462 ' HG3' ' NH2' ' A' ' 112' ' ' ARG . 33.8 tt0 -65.01 -52.63 55.01 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 122.181 -0.324 . . . . 0.0 110.608 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.496 ' HB3' HD23 ' A' ' 124' ' ' LEU . 29.4 m-85 -58.0 -39.97 79.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.988 0.423 . . . . 0.0 110.638 176.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.72 -38.0 85.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.782 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.462 ' NH2' ' HG3' ' A' ' 109' ' ' GLU . 29.0 ttp85 -72.64 -41.36 65.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.428 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -86.57 7.69 25.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.318 0.58 . . . . 0.0 110.537 -176.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -68.42 141.64 55.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.821 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -127.53 -170.16 2.18 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -73.39 62.32 1.85 Allowed Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.877 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.5 m -131.5 105.41 7.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.968 0.413 . . . . 0.0 110.174 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.429 ' HB3' HD21 ' A' ' 21' ' ' LEU . 11.6 p90 -69.71 -16.35 63.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.439 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -73.94 -10.41 80.68 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.336 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.8 mt -83.67 -0.98 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 124' ' ' LEU . 58.6 mt -78.26 -12.25 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.166 0.507 . . . . 0.0 110.37 178.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -94.2 -24.87 17.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.979 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 63.1 p -82.74 -32.27 27.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.211 0.529 . . . . 0.0 110.231 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.503 HD12 HD23 ' A' ' 121' ' ' LEU . 20.3 mt -63.86 139.14 58.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.854 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -75.95 93.97 3.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.421 173.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 80.1 mt -118.81 137.48 53.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.158 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 98' ' ' LEU . 43.9 pt -123.17 -173.09 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.265 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.568 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 42.1 mtp180 -104.57 119.36 38.8 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 175.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.612 HD12 ' HB2' ' A' ' 99' ' ' CYS . 38.2 mt -110.41 132.63 58.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -178.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -127.24 144.48 51.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.35 -175.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 62.82 -78.34 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 172.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -134.86 36.1 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.906 0.384 . . . . 0.0 111.77 -171.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.645 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 92.34 17.78 44.87 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 119.939 -1.125 . . . . 0.0 111.994 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -80.67 137.84 36.34 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -79.83 117.35 20.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.022 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.568 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 59.2 t -82.28 112.45 20.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.393 -176.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 18.4 m -116.31 167.9 8.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 171.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -101.58 -150.77 23.95 Favored Glycine 0 N--CA 1.442 -0.954 0 C-N-CA 120.302 -0.951 . . . . 0.0 111.68 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -86.09 -9.15 77.51 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -85.71 -31.57 22.39 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.474 -178.449 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.4 mtp . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 120.636 0.255 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.415 ' NH1' ' HG3' ' A' ' 3' ' ' GLU . 5.5 ppt_? -117.44 7.59 12.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.108 0.48 . . . . 0.0 110.498 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.415 ' HG3' ' NH1' ' A' ' 2' ' ' ARG . 1.6 mp0 -89.81 2.91 54.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.647 178.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -89.06 135.92 33.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.016 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.67 94.11 5.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.199 0.523 . . . . 0.0 110.963 -178.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.3 mt -84.36 135.93 23.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.903 178.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.67 173.67 11.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.967 0.413 . . . . 0.0 111.468 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.66 167.12 19.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.844 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -86.47 37.89 0.76 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.507 -176.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -138.66 145.7 40.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.869 0.366 . . . . 0.0 110.909 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -123.87 170.2 10.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.547 172.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.6 mt -89.59 -18.96 25.57 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.729 0.299 . . . . 0.0 111.06 -175.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 70.48 10.44 7.18 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.521 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 58.13 53.92 6.28 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.975 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -88.86 -3.5 58.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.34 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -69.0 120.36 14.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.736 -177.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 17' ' ' ARG . 52.0 mtt-85 -98.21 -169.02 1.74 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.196 0.522 . . . . 0.0 111.241 -177.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 18' ' ' VAL . 29.2 t -95.69 -0.86 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.975 174.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -70.8 -36.33 72.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.323 0.582 . . . . 0.0 109.892 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -81.36 -27.24 34.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.477 175.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.3 mt -74.98 -36.8 62.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.143 0.497 . . . . 0.0 110.205 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.28 -19.88 62.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.251 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -42.94 93.05 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.487 HG22 ' HG3' ' A' ' 100' ' ' PRO . 69.6 t -70.59 -42.76 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.291 178.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.2 tttm -61.13 -41.04 96.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.89 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.3 t80 -59.57 -47.49 85.34 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 176.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.648 ' O ' HG23 ' A' ' 31' ' ' VAL . 66.2 mtt -59.56 -48.12 82.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.49 178.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.573 ' HG3' ' HA ' ' A' ' 112' ' ' ARG . 38.4 tt0 -55.78 -47.11 77.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.999 0.428 . . . . 0.0 110.328 178.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.98 -46.68 88.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.347 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.484 HG12 ' HB2' ' A' ' 36' ' ' PHE . 77.2 t -62.73 -43.18 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.654 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 27' ' ' MET . 61.2 t -61.65 -36.11 71.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.362 0.601 . . . . 0.0 110.444 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.613 HD21 ' HG3' ' A' ' 112' ' ' ARG . 53.9 m-80 -94.51 3.58 54.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.888 -178.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.8 t -100.01 150.42 22.45 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 1.029 ' HA ' ' HB2' ' A' ' 37' ' ' LYS . 21.7 m-20 -70.45 -4.51 22.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.221 0.534 . . . . 0.0 110.384 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.448 HG22 ' CD1' ' A' ' 36' ' ' PHE . 26.3 m -58.12 -44.64 87.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.445 172.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.484 ' HB2' HG12 ' A' ' 30' ' ' VAL . 50.2 m-85 -138.32 30.88 2.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.559 0.695 . . . . 0.0 109.966 177.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 1.029 ' HB2' ' HA ' ' A' ' 34' ' ' ASP . 17.0 tptm -52.78 -35.13 56.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.021 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.32 15.29 63.59 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.031 -176.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -116.28 94.52 42.66 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 178.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' O ' ' HG2' ' A' ' 108' ' ' MET . 29.0 Cg_exo -62.67 -48.07 7.89 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.919 2.413 . . . . 0.0 112.267 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.7 mm -115.97 148.91 18.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.517 ' CE1' HG22 ' A' ' 31' ' ' VAL . 42.4 m-85 -111.94 127.93 56.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.362 0.601 . . . . 0.0 111.366 -176.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.31 155.41 21.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.183 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -62.54 -24.89 67.75 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 48' ' ' ARG . . . -68.16 -35.31 77.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.42 173.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -74.75 -38.66 62.18 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.49 HG21 HD13 ' A' ' 129' ' ' ILE . 87.2 m -56.59 -51.13 69.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.181 0.515 . . . . 0.0 110.045 171.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 1.013 ' HG3' ' HB3' ' A' ' 132' ' ' LYS . 14.0 ttt180 -42.69 -52.05 5.05 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.805 174.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -73.08 -43.28 62.05 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.169 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.69 -44.45 96.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 47' ' ' THR . 68.5 mt -61.13 -49.24 85.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.403 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -64.2 -44.08 93.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.812 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.4 t -66.87 -33.52 75.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.342 -177.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -64.0 -40.23 95.9 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.692 HG23 ' HB2' ' A' ' 86' ' ' ARG . 83.6 mt -63.13 -42.17 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.181 176.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.3 -19.04 63.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.575 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.429 HH21 ' HA ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -71.11 -30.26 66.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.437 179.563 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.429 ' HA ' HH21 ' A' ' 57' ' ' ARG . 11.9 t70 -67.08 -31.73 72.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.339 0.59 . . . . 0.0 110.13 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.06 -23.13 67.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.506 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.2 m -74.83 -26.99 60.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.514 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.456 ' CD ' HH12 ' A' ' 85' ' ' ARG . 54.3 tt0 -82.66 -33.18 27.85 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 174.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.709 ' HB2' HD12 ' A' ' 82' ' ' LEU . 54.5 tp -62.18 -32.03 72.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.016 172.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.6 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -63.41 -31.16 72.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.636 -179.094 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.678 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 6.1 mm-40 -60.15 -38.49 83.27 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.38 175.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 98.1 mt -73.7 -29.78 62.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.558 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.478 ' CD ' ' HA ' ' A' ' 63' ' ' ASP . 83.1 mttt -64.26 -48.68 74.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.54 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' A' ' 63' ' ' ASP . 5.4 ptmm? -73.69 -14.28 61.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.236 -176.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.678 ' HG3' ' O ' ' A' ' 64' ' ' GLU . 83.9 mttt -71.14 -17.41 62.56 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.294 0.569 . . . . 0.0 109.849 174.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.7 ttm-85 -71.75 -27.38 62.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.8 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -72.77 -23.86 60.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.38 0.61 . . . . 0.0 109.668 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 m -80.59 4.02 19.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.632 174.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 t30 73.98 25.66 1.85 Allowed 'General case' 0 CA--C 1.523 -0.068 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.855 177.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.513 ' HA ' ' NE ' ' A' ' 73' ' ' ARG . 0.4 OUTLIER -119.01 84.76 27.41 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.16 173.818 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 74.3 Cg_endo -79.44 116.65 3.61 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.413 2.075 . . . . 0.0 112.481 178.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 74' ' ' PRO . 10.0 Cg_endo -88.5 107.24 0.51 Allowed 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.055 2.503 . . . . 0.0 111.782 176.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.5 m -73.14 -72.8 0.23 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.968 0.413 . . . . 0.0 110.568 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -76.49 -35.04 58.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.948 -176.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -65.59 -29.83 70.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.606 -174.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -73.52 -34.52 65.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.091 0.472 . . . . 0.0 109.809 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.482 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 62.1 t -66.93 -39.99 84.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.068 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -55.56 -39.88 71.22 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.301 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.709 HD12 ' HB2' ' A' ' 62' ' ' LEU . 1.6 tm? -67.28 -53.84 26.17 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 87' ' ' ASP . 46.0 tt0 -51.32 -38.49 53.28 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.448 -178.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 90.8 mt-30 -60.12 -25.05 65.17 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -177.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.456 HH12 ' CD ' ' A' ' 61' ' ' GLU . 97.8 mtt180 -49.21 -64.1 0.91 Allowed 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.714 0.769 . . . . 0.0 110.134 177.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.692 ' HB2' HG23 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -91.61 -6.3 52.49 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.227 -172.403 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 83' ' ' GLN . 0.5 OUTLIER -76.82 -36.89 56.57 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 172.827 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -66.83 -39.99 87.85 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.182 170.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 93' ' ' PHE . 42.3 mt-10 -59.92 -33.21 71.58 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.93 176.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 85.4 mt -69.7 -33.29 72.32 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.043 0.449 . . . . 0.0 110.722 176.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -64.88 -40.67 95.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.289 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -83.45 -26.08 30.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.166 0.508 . . . . 0.0 110.078 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.482 ' HB3' ' O ' ' A' ' 90' ' ' LEU . 68.2 t80 -52.12 -42.17 63.09 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.217 1.007 . . . . 0.0 110.372 174.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -62.1 -30.77 71.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.782 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -111.18 14.42 21.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.83 0.347 . . . . 0.0 111.109 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.572 ' HA2' ' HA ' ' A' ' 130' ' ' ASN . . . 87.85 124.85 2.12 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.079 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -95.82 154.78 17.05 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 54.7 tp -75.27 98.63 3.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.031 0.444 . . . . 0.0 111.005 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.471 ' HB2' HD12 ' A' ' 129' ' ' ILE . 71.7 m -128.6 145.24 55.26 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.257 177.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.836 ' HA ' ' HA ' ' A' ' 126' ' ' LEU . 33.7 Cg_endo -67.08 150.84 82.42 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.351 2.034 . . . . 0.0 112.613 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.23 109.98 8.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.098 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.548 HD21 ' SD ' ' A' ' 27' ' ' MET . 34.8 mt -92.16 0.86 57.47 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -177.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.8 p -98.26 12.11 35.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.949 0.404 . . . . 0.0 111.552 -175.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -127.4 137.98 52.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.319 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.4 -26.4 55.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -174.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.436 ' HD3' ' H ' ' A' ' 106' ' ' LYS . 3.4 mppt? -77.73 -36.22 51.07 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.471 ' ND2' ' HB3' ' A' ' 125' ' ' ARG . 12.3 m120 -63.73 -45.16 91.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.135 174.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.427 ' SD ' HG21 ' A' ' 31' ' ' VAL . 39.8 tpp -62.54 -33.85 75.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.925 0.393 . . . . 0.0 110.457 175.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.13 -51.06 69.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.238 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -64.55 -33.65 76.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.737 0.303 . . . . 0.0 110.863 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.452 ' HG ' HG13 ' A' ' 24' ' ' VAL . 9.9 tt -66.83 -40.47 88.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.544 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.613 ' HG3' HD21 ' A' ' 32' ' ' ASN . 58.9 ttt180 -77.94 -33.09 51.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.142 0.496 . . . . 0.0 110.491 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -87.37 19.21 3.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.704 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.659 ' HA ' HD13 ' A' ' 120' ' ' LEU . 16.7 t90 -68.18 112.14 4.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.115 0.483 . . . . 0.0 109.784 178.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.56 -2.09 58.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.309 -177.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.25 -0.36 60.1 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.449 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.8 t -82.41 141.59 32.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.574 ' HA ' HD23 ' A' ' 121' ' ' LEU . 67.5 t80 -72.42 -25.01 61.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.185 -177.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.89 -26.06 68.46 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.268 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.659 HD13 ' HA ' ' A' ' 114' ' ' TRP . 1.6 mt -69.02 -16.46 63.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.093 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 118' ' ' PHE . 4.2 mm? -81.15 -9.06 59.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.047 0.451 . . . . 0.0 110.408 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -93.44 -19.01 21.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.772 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.524 ' OG1' HD23 ' A' ' 120' ' ' LEU . 71.4 p -98.15 -33.5 11.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.427 0.632 . . . . 0.0 110.202 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 120' ' ' LEU . 0.5 OUTLIER -71.48 130.06 40.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.468 176.229 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.471 ' HB3' ' ND2' ' A' ' 107' ' ' ASN . 8.3 ttt180 -81.77 95.13 7.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.304 0.574 . . . . 0.0 111.075 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.836 ' HA ' ' HA ' ' A' ' 100' ' ' PRO . 8.8 mp -98.61 130.46 45.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.146 171.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 20.6 pt -126.18 -172.85 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.087 0.47 . . . . 0.0 111.165 -173.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.543 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 10.8 mmm180 -96.96 122.12 39.6 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.49 HD13 HG21 ' A' ' 47' ' ' THR . 37.9 mt -118.9 121.22 66.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.007 0.432 . . . . 0.0 110.25 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.572 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . 23.7 t-20 -91.54 136.18 33.31 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.881 -172.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.7 t70 52.94 -97.13 0.06 Allowed 'General case' 0 CA--C 1.531 0.228 0 O-C-N 124.39 1.056 . . . . 0.0 111.618 173.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 1.013 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . 63.5 mttm -126.68 80.76 1.96 Allowed 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.896 -0.503 . . . . 0.0 111.114 -176.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 74.49 22.38 77.44 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.6 -0.727 . . . . 0.0 113.763 172.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -95.08 132.28 40.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.109 0.455 . . . . 0.0 110.322 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -67.42 131.37 45.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.241 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.543 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 20.1 t -125.73 101.28 8.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.144 171.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 54.4 t -87.25 -49.28 14.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 173.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.72 -56.6 4.51 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.298 -0.864 . . . . 0.0 113.179 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.9 47.52 24.87 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -174.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -132.91 121.64 23.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.896 0.379 . . . . 0.0 111.22 -173.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--O 1.245 0.821 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 172.332 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HB2' ' H ' ' A' ' 2' ' ' ARG . 46.4 mtm . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.406 ' H ' ' HB2' ' A' ' 1' ' ' MET . 75.6 ttt180 -98.27 -22.45 16.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 173.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -107.37 147.99 29.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.167 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -82.35 -6.52 59.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.87 -173.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -124.21 154.23 40.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.891 0.377 . . . . 0.0 111.052 -176.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.9 mt -102.59 137.21 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.839 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.95 134.13 35.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.751 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.76 153.68 41.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.172 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -86.65 -1.15 57.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.0 0.428 . . . . 0.0 110.897 -178.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 42.2 mmtm -132.84 127.48 34.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.527 174.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -109.57 114.29 27.78 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.789 -174.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.5 mt -80.14 153.98 28.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.237 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -71.41 -24.28 62.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.932 0.396 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -101.96 124.63 47.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.01 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -88.12 174.29 8.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.26 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -74.52 92.83 2.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.062 0.458 . . . . 0.0 109.883 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -97.93 103.7 15.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.805 -174.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.512 ' HA ' ' HB2' ' A' ' 21' ' ' LEU . 35.7 t -80.94 -9.66 12.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.098 173.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -53.08 -43.71 66.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.466 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -87.07 -31.84 20.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.663 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.512 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 85.7 mt -58.08 -43.22 86.93 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.831 0.348 . . . . 0.0 111.002 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.98 -30.65 68.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.631 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.447 ' NH1' ' HZ ' ' A' ' 97' ' ' PHE . 63.8 mtt85 -73.95 -39.05 64.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.854 0.359 . . . . 0.0 110.296 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -67.52 -37.91 79.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.238 0.542 . . . . 0.0 109.601 174.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -57.37 -46.19 83.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.415 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -57.36 -40.8 78.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.731 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.567 ' O ' HG23 ' A' ' 31' ' ' VAL . 59.7 mtt -67.46 -43.64 80.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.129 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.8 tm0? -62.5 -43.23 99.32 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -60.33 -52.14 66.52 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.995 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 27' ' ' MET . 10.5 p -64.14 -34.1 66.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -174.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 27' ' ' MET . 81.4 t -62.9 -37.94 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.465 0.65 . . . . 0.0 109.964 175.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -96.32 6.32 49.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.788 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.488 ' HB3' ' HA ' ' A' ' 30' ' ' VAL . 45.8 t -102.11 142.47 33.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.439 -178.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -61.46 -17.1 52.92 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.228 -176.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.0 m -59.66 -36.98 77.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.252 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.401 ' HB2' HG22 ' A' ' 30' ' ' VAL . 41.8 m-85 -143.68 24.8 1.69 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.668 0.271 . . . . 0.0 111.364 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 33' ' ' SER . 61.6 tttm -64.86 -24.91 67.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.987 0.423 . . . . 0.0 110.721 -177.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.23 -17.56 72.27 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.745 178.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -110.4 107.81 58.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 110.425 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.0 -34.41 38.29 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.755 2.303 . . . . 0.0 112.262 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 37.3 mm -123.3 147.39 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.153 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.405 ' HB2' ' HB3' ' A' ' 102' ' ' LEU . 50.2 m-85 -103.52 -165.32 1.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.722 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.525 ' H ' ' HB2' ' A' ' 46' ' ' HIS . 4.3 m-20 -132.17 169.47 16.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.085 -172.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.525 ' O ' ' HB ' ' A' ' 47' ' ' THR . 17.6 m-70 -70.93 -31.96 68.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.018 0.437 . . . . 0.0 110.024 177.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.15 -39.74 78.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.968 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.525 ' HB2' ' H ' ' A' ' 43' ' ' ASP . 4.7 m80 -65.75 -29.43 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.74 175.11 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.525 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 72.6 m -55.3 -58.39 7.93 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 170.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.545 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 22.8 ttt180 -52.54 -46.72 66.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.333 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.55 -51.56 68.07 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.574 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -69.21 -39.87 78.34 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.5 mm -62.67 -47.62 92.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.169 0.509 . . . . 0.0 109.759 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -66.08 -31.4 72.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.81 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 t -62.11 -39.94 94.2 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.262 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -69.62 -33.22 72.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.978 0.418 . . . . 0.0 110.007 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.421 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 67.6 mt -70.71 -34.92 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.175 0.512 . . . . 0.0 110.072 175.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -68.98 -21.86 64.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.573 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -55.43 -29.14 58.05 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.358 174.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.619 ' HB2' HH22 ' A' ' 85' ' ' ARG . 2.1 t70 -56.83 -36.56 70.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.273 177.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.493 ' HB2' HH12 ' A' ' 86' ' ' ARG . 19.8 t70 -68.5 -16.8 64.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.379 -176.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.8 m -76.31 -36.1 58.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.115 0.483 . . . . 0.0 109.96 175.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.04 -40.73 37.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.459 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.532 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 38.3 tp -65.21 -29.18 69.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.564 177.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -53.61 -41.52 66.73 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.142 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.627 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 11.0 mm-40 -56.12 -45.86 79.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.825 176.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.51 HD21 ' HD2' ' A' ' 78' ' ' ARG . 85.9 mt -71.61 -24.83 61.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.961 -177.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 92.3 mttt -68.38 -42.25 79.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.386 0.612 . . . . 0.0 109.784 174.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -71.32 -28.18 63.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.146 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.627 ' HG3' ' O ' ' A' ' 64' ' ' GLU . 48.8 mttm -86.7 10.82 14.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.391 -177.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.543 ' HA ' ' HG3' ' A' ' 74' ' ' PRO . 55.4 mtt180 -75.49 88.37 2.66 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 172.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -129.12 -172.68 2.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.54 -176.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.6 t -77.34 1.6 18.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.223 0.535 . . . . 0.0 110.056 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -84.94 3.92 36.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.372 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 70.79 104.69 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.307 0 O-C-N 123.992 0.808 . . . . 0.0 110.304 -177.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.543 ' HG3' ' HA ' ' A' ' 69' ' ' ARG . 36.1 Cg_exo -60.97 154.96 52.84 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.005 2.47 . . . . 0.0 112.57 -177.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.51 ' HB2' ' HB3' ' A' ' 78' ' ' ARG . 13.3 Cg_exo -70.0 84.88 0.67 Allowed 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.743 2.295 . . . . 0.0 112.235 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.1 p -59.15 -49.23 78.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.992 0.425 . . . . 0.0 110.258 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -56.23 -57.0 14.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.094 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.51 ' HB3' ' HB2' ' A' ' 75' ' ' PRO . 40.4 ttm-85 -61.28 -46.05 91.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.587 -176.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.498 ' HA ' HD13 ' A' ' 65' ' ' LEU . 34.0 tt0 -62.89 -48.12 80.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.041 -177.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.81 -39.32 84.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.355 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.7 tp -62.74 -45.47 92.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.927 0.394 . . . . 0.0 110.489 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.33 -49.86 75.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.776 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.09 -37.28 86.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.368 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -66.8 -27.47 67.6 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.446 0.165 . . . . 0.0 111.317 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.619 HH22 ' HB2' ' A' ' 58' ' ' ASP . 4.7 ttp-105 -63.01 -50.66 69.86 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 174.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.615 ' HD2' ' OD1' ' A' ' 58' ' ' ASP . 31.6 ttt180 -60.78 -42.08 96.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.414 177.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -57.35 -45.02 84.79 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.632 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -69.75 -38.77 76.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 85' ' ' ARG . 77.4 mt-10 -59.96 -39.58 86.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.934 0.397 . . . . 0.0 110.368 177.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 95.2 mt -63.18 -37.24 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.703 177.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -73.65 -36.53 65.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.372 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.72 -37.63 88.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.505 0.669 . . . . 0.0 109.576 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 1.026 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 37.6 t80 -67.17 -40.35 86.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.47 177.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -66.11 -33.84 76.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.839 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.14 17.19 3.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.337 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.58 86.67 1.14 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.596 -0.812 . . . . 0.0 111.517 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 1.026 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 28.7 t80 -80.12 148.93 30.77 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -175.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.9 tp -72.34 94.89 1.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.951 0.405 . . . . 0.0 110.539 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.704 ' HB2' HD12 ' A' ' 129' ' ' ILE . 15.1 m -128.18 150.36 73.73 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.409 -178.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.512 ' HG2' ' SD ' ' A' ' 27' ' ' MET . 5.7 Cg_exo -75.25 153.1 40.39 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.356 2.037 . . . . 0.0 111.616 171.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -70.75 -27.5 63.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.724 ' HA ' ' SD ' ' A' ' 108' ' ' MET . 44.9 mt 62.44 14.7 7.15 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.645 177.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.9 m -110.88 -43.32 3.81 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.466 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.95 113.05 5.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.951 0.405 . . . . 0.0 109.957 176.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.06 -37.95 78.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.035 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -68.48 -35.48 77.59 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.483 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.624 ' ND2' ' HB2' ' A' ' 125' ' ' ARG . 45.8 t30 -64.81 -44.52 89.63 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.724 ' SD ' ' HA ' ' A' ' 102' ' ' LEU . 92.6 mmm -63.3 -37.18 86.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.973 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.07 -39.46 86.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.371 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -72.18 -30.38 64.92 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.5 tt -68.46 -35.79 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.405 172.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 112' ' ' ARG . 33.2 ttt180 -70.36 -23.62 62.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.287 177.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -86.86 2.01 50.51 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.295 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.456 ' CZ2' ' HA2' ' A' ' 116' ' ' GLY . 46.4 t90 -65.89 115.07 5.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.933 0.397 . . . . 0.0 110.816 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -104.71 21.18 17.34 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 110.729 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.456 ' HA2' ' CZ2' ' A' ' 114' ' ' TRP . . . 90.62 37.76 6.4 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -173.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.912 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 0.2 OUTLIER -94.14 124.25 38.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.266 -0.467 . . . . 0.0 110.597 -175.31 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -78.21 -40.67 36.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.965 0.412 . . . . 0.0 110.295 -178.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -68.51 -12.71 64.36 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.392 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.912 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 0.5 OUTLIER -72.72 -14.48 61.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.39 0.615 . . . . 0.0 109.883 179.112 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.413 HD11 ' CD2' ' A' ' 21' ' ' LEU . 69.0 mt -73.55 -19.03 61.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.159 0.504 . . . . 0.0 110.089 176.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -97.95 13.66 30.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.195 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 50.0 p -129.37 -34.1 1.86 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.172 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.74 152.34 35.98 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.317 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.624 ' HB2' ' ND2' ' A' ' 107' ' ' ASN . 38.0 mtp85 -77.1 72.24 3.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.27 0.557 . . . . 0.0 109.884 173.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.7 102.92 15.09 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.776 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.503 HD12 ' HG3' ' A' ' 135' ' ' GLN . 16.9 pt -106.67 176.16 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.259 -175.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -96.79 120.8 37.8 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 175.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.704 HD12 ' HB2' ' A' ' 99' ' ' CYS . 25.3 mt -118.52 132.24 68.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.292 -175.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -101.7 120.39 40.27 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.581 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.6 t70 56.76 -93.94 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 171.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.545 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 10.9 pttm -100.79 44.27 1.02 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -167.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.456 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 79.6 31.01 42.21 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.346 176.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -90.72 111.5 22.89 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.503 ' HG3' HD12 ' A' ' 127' ' ' ILE . 54.2 tt0 -70.54 119.0 14.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.171 0.51 . . . . 0.0 110.843 -177.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.9 t -84.84 97.35 5.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.605 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 18.7 m -91.04 131.87 37.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.359 -176.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 63.66 55.51 24.64 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.226 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -85.94 -77.82 1.2 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.82 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -166.73 -69.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.243 0.544 . . . . 0.0 109.732 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 C--O 1.25 1.091 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.206 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.5 mtm . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 121.0 0.429 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.606 ' HG2' ' H ' ' A' ' 4' ' ' ASP . 58.2 ttp180 -111.39 143.56 42.0 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.569 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.469 ' HB2' ' HE2' ' A' ' 91' ' ' LYS . 47.4 mt-10 -62.86 -36.86 84.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.533 0.683 . . . . 0.0 109.584 178.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.606 ' H ' ' HG2' ' A' ' 2' ' ' ARG . 3.9 m-20 -71.8 112.25 7.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.769 -177.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -82.92 -172.26 4.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.585 176.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.8 mt -73.22 -49.96 34.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.191 -176.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -122.54 118.13 27.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.74 -66.17 1.06 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.993 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.511 ' HG2' ' OD2' ' A' ' 15' ' ' ASP . 66.1 mttm -76.75 -3.81 40.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.015 0.436 . . . . 0.0 111.39 -174.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -111.79 17.9 19.41 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.171 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -143.38 -40.0 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.565 -176.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.36 -176.8 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -128.45 -1.18 5.6 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -100.76 -7.49 23.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.121 0.486 . . . . 0.0 110.538 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.511 ' OD2' ' HG2' ' A' ' 9' ' ' LYS . 5.4 m-20 -85.5 89.99 7.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.218 178.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -114.79 178.09 4.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.32 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -87.19 -3.97 59.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.457 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.09 -44.33 81.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.188 176.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -67.12 -8.52 31.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.331 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.74 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 37.5 tp10 -102.19 -66.59 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.903 -178.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.5 mt -70.54 -31.93 69.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.282 -170.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 -32.48 72.24 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.74 ' NH1' ' HA ' ' A' ' 20' ' ' GLU . 15.6 mtm-85 -66.41 -43.67 85.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.174 0.511 . . . . 0.0 109.87 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.41 -45.1 94.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.713 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -68.16 -30.93 70.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.792 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 30' ' ' VAL . 63.1 t80 -60.49 -54.92 39.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 173.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.583 ' O ' HG23 ' A' ' 31' ' ' VAL . 63.0 mtt -55.77 -45.19 78.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.201 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -50.24 -57.35 8.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.049 176.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.563 ' HA ' ' HB2' ' A' ' 32' ' ' ASN . 81.0 m-20 -73.72 -16.09 61.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.058 -173.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 26' ' ' PHE . 53.6 t -72.73 -37.66 56.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 172.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 27' ' ' MET . 20.6 t -75.82 -26.84 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.84 176.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.563 ' HB2' ' HA ' ' A' ' 29' ' ' ASP . 86.0 m-20 -77.73 -38.67 46.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.155 177.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 35.6 t -78.07 159.8 28.48 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.803 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.09 1.1 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.126 0.489 . . . . 0.0 110.451 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 m -56.94 -55.24 37.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.491 174.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.417 ' HD1' ' HG3' ' A' ' 39' ' ' GLN . 52.6 m-85 -137.57 22.53 2.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.334 178.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 33' ' ' SER . 35.2 ttpt -57.76 -31.38 66.44 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.025 0.441 . . . . 0.0 111.352 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.1 -4.9 89.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.516 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 83.6 mm-40 -107.03 121.0 46.17 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 39' ' ' GLN . 23.2 Cg_exo -65.78 -61.47 0.09 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.641 2.227 . . . . 0.0 112.601 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 105' ' ' ALA . 7.5 mm -125.76 163.69 26.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -176.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.889 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 92.2 m-85 -110.22 -160.38 0.71 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.993 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.595 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 1.9 p30 -142.29 -177.68 5.37 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.257 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.537 ' O ' ' HB ' ' A' ' 47' ' ' THR . 4.3 m-70 -81.11 -21.71 39.67 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.601 0.239 . . . . 0.0 111.448 -177.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.01 -37.96 72.65 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 175.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -67.24 -26.09 66.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.679 173.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.537 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 93.9 m -57.88 -63.56 1.21 Allowed 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 172.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.611 ' HD3' ' HB3' ' A' ' 132' ' ' LYS . 12.8 ptt180 -61.21 -32.25 72.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.122 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.22 -50.15 72.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.686 0.279 . . . . 0.0 110.744 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -73.54 -40.37 64.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.546 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 47' ' ' THR . 46.4 mm -65.69 -43.59 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.785 0.326 . . . . 0.0 110.997 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -62.96 -47.64 82.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.7 p -67.75 -32.85 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.178 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -61.86 -39.82 93.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.806 0.336 . . . . 0.0 110.804 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.2 mt -81.32 -39.22 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.805 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -67.43 -18.25 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.244 0.545 . . . . 0.0 110.211 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.585 ' HB3' HH11 ' A' ' 57' ' ' ARG . 2.6 ttp-105 -54.42 -36.21 63.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.092 176.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -64.7 -22.2 66.92 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.674 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.28 -21.35 63.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.989 0.423 . . . . 0.0 110.184 177.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.9 m -78.27 -28.13 47.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.226 178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -84.8 -34.02 22.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.26 0.552 . . . . 0.0 109.683 174.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.551 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 64.9 tp -64.36 -27.26 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.476 171.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.773 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 32.6 t70 -62.71 -32.41 73.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.376 178.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.897 ' HB3' ' HE2' ' A' ' 68' ' ' LYS . 43.6 mt-10 -61.83 -48.61 79.81 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 174.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 79' ' ' GLN . 97.4 mt -62.92 -22.71 66.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.009 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.773 ' HD2' ' HA ' ' A' ' 63' ' ' ASP . 85.6 mttt -74.7 -48.63 24.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.684 177.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -91.39 -14.35 30.79 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -170.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.897 ' HE2' ' HB3' ' A' ' 64' ' ' GLU . 66.9 mttm -82.28 9.31 9.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.917 0.389 . . . . 0.0 110.907 177.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -77.0 11.36 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.652 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -69.05 -19.73 64.1 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 173.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 m -73.7 149.26 42.01 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 170.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -88.8 18.69 4.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.431 0.634 . . . . 0.0 110.079 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 73' ' ' ARG . 26.6 mtt-85 -135.04 80.33 48.34 Favored Pre-proline 0 N--CA 1.449 -0.481 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.417 176.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.513 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 42.8 Cg_exo -57.53 136.45 75.93 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.868 2.379 . . . . 0.0 112.83 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.513 ' HD3' ' HA ' ' A' ' 74' ' ' PRO . 4.6 Cg_exo -74.37 84.8 1.5 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.87 2.38 . . . . 0.0 112.409 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 80' ' ' VAL . 8.0 p -60.76 -57.8 11.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.565 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -63.48 -43.76 96.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.775 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.7 mtt-85 -64.17 -41.22 97.22 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -176.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.401 ' HA ' HD13 ' A' ' 65' ' ' LEU . 48.0 tt0 -67.0 -39.91 87.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.983 0.421 . . . . 0.0 110.465 178.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.493 ' O ' ' HG2' ' A' ' 84' ' ' GLN . 69.4 t -64.58 -40.35 88.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.505 177.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.3 tp -59.78 -41.63 91.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.775 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.97 -47.39 86.66 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -57.36 -49.82 74.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.361 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 80' ' ' VAL . 86.5 mm-40 -55.03 -46.2 75.27 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.867 -176.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -67.17 -42.7 83.84 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.238 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.481 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 52.5 ttp180 -63.11 -46.81 85.57 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -178.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.57 -36.3 80.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.571 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.03 -44.23 93.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.086 0.469 . . . . 0.0 110.437 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -74.27 -25.93 59.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.1 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 92.4 mt -66.15 -31.34 72.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.337 0.589 . . . . 0.0 109.735 172.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.501 ' HD3' ' C ' ' A' ' 91' ' ' LYS . 5.1 tmtm? -71.12 -40.78 71.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.772 175.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -61.0 -35.63 77.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.421 0.629 . . . . 0.0 109.607 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -60.42 -39.52 87.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.549 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 90' ' ' LEU . 84.0 mttt -71.43 -30.66 66.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.506 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.1 12.13 5.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.814 -172.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.95 81.25 1.02 Allowed Glycine 0 N--CA 1.442 -0.958 0 C-N-CA 120.34 -0.933 . . . . 0.0 110.784 -174.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.559 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 28.5 t80 -55.51 129.46 38.95 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 122.753 0.421 . . . . 0.0 110.408 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.8 tp -67.1 103.31 1.16 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.161 0.505 . . . . 0.0 110.481 -176.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.688 ' HB2' HD12 ' A' ' 129' ' ' ILE . 33.9 m -128.51 154.28 79.41 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.794 -179.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.56 149.15 55.07 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.096 1.864 . . . . 0.0 109.622 166.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -55.95 -36.59 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.004 0.431 . . . . 0.0 110.298 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.889 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 15.4 tp 75.7 -32.4 0.21 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.318 171.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.595 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 5.7 p -87.48 -18.17 30.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.928 0.394 . . . . 0.0 110.495 175.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.91 122.62 24.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.388 174.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.561 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -64.87 -36.8 85.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.335 -175.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.515 ' HB3' ' NH2' ' A' ' 125' ' ' ARG . 51.1 tptt -65.19 -40.35 94.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.916 0.388 . . . . 0.0 110.288 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.607 HD21 ' HB2' ' A' ' 125' ' ' ARG . 18.5 m-80 -58.45 -46.06 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.496 173.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.45 ' SD ' HD22 ' A' ' 111' ' ' LEU . 36.4 tpp -66.1 -28.27 68.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.091 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -62.88 -52.93 61.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.705 0.288 . . . . 0.0 110.314 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.452 ' CZ ' ' HE3' ' A' ' 106' ' ' LYS . 48.2 m-85 -68.01 -34.18 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.542 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.45 HD22 ' SD ' ' A' ' 108' ' ' MET . 7.7 tt -64.3 -37.33 87.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.06 -178.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 112' ' ' ARG . 26.6 ttt180 -80.77 -25.22 38.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.134 0.492 . . . . 0.0 110.757 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -95.53 18.94 11.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.307 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.57 ' HA ' HD13 ' A' ' 120' ' ' LEU . 25.9 t90 -78.36 137.29 37.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.768 -175.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -145.0 -157.12 0.76 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.16 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -73.28 62.07 1.81 Allowed Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 172.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.403 ' HB ' HD12 ' A' ' 120' ' ' LEU . 11.7 m -132.46 103.94 6.44 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -174.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -73.81 -19.92 60.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.922 0.391 . . . . 0.0 110.839 -176.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.66 -17.33 68.91 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.971 176.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.57 HD13 ' HA ' ' A' ' 114' ' ' TRP . 47.1 mt -73.83 -13.39 60.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 0.0 111.3 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 121' ' ' LEU . 3.6 mm? -78.81 -13.61 59.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.376 0.608 . . . . 0.0 109.473 175.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -91.66 -29.47 16.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.8 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 49.6 p -81.07 -37.82 28.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.988 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.94 135.79 55.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.047 176.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.607 ' HB2' HD21 ' A' ' 107' ' ' ASN . 1.0 OUTLIER -92.25 77.24 5.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.623 0.725 . . . . 0.0 109.603 178.042 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 14.3 mt -82.22 123.57 29.14 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.834 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.524 HD12 ' HG3' ' A' ' 135' ' ' GLN . 16.6 pt -123.42 -175.55 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.599 -175.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.58 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 98.0 mtt180 -96.44 123.87 40.24 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.688 HD12 ' HB2' ' A' ' 99' ' ' CYS . 21.9 mt -120.77 113.85 41.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 121.444 0.64 . . . . 0.0 110.006 176.263 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -99.35 145.96 26.79 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.39 -171.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.6 t70 58.31 -87.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.4 -1.273 . . . . 0.0 112.203 174.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.611 ' HB3' ' HD3' ' A' ' 48' ' ' ARG . 90.5 mttt -138.73 79.87 1.76 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.196 0.522 . . . . 0.0 111.714 -176.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 74.9 13.9 82.09 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.549 -0.75 . . . . 0.0 113.294 173.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 129' ' ' ILE . 38.5 mt-10 -90.26 134.87 34.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -177.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.524 ' HG3' HD12 ' A' ' 127' ' ' ILE . 49.8 tt0 -87.37 129.44 35.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.351 0.595 . . . . 0.0 110.939 -174.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.58 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 11.0 t -103.72 135.99 38.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.399 177.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 53.1 t -56.09 -39.34 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.306 0.575 . . . . 0.0 110.779 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.56 ' HA2' ' HD2' ' A' ' 128' ' ' ARG . . . 130.04 -135.08 8.15 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.97 177.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -159.03 35.08 0.49 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.049 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -106.92 3.33 26.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.989 179.512 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.647 0.26 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -99.53 134.53 42.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.0 0.428 . . . . 0.0 111.589 -174.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -83.11 -30.5 27.88 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 174.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.95 110.17 21.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.948 -1.023 . . . . 0.0 108.505 170.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -68.65 -24.32 64.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.801 -172.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.496 HG22 ' H ' ' A' ' 8' ' ' ALA . 40.9 mm -80.69 148.88 5.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.85 -41.97 78.87 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.27 0.557 . . . . 0.0 110.1 176.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.496 ' H ' HG22 ' A' ' 6' ' ' ILE . . . -101.37 -167.02 1.36 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.077 171.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -119.48 167.28 12.11 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.03 -16.87 48.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.895 0.378 . . . . 0.0 111.789 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -80.33 -10.17 59.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.629 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.9 mt -120.17 141.59 49.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.525 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -133.84 140.65 47.01 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.934 -177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 65.7 95.6 0.06 Allowed 'General case' 0 N--CA 1.464 0.254 0 O-C-N 124.086 0.866 . . . . 0.0 111.83 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -63.11 127.1 29.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.985 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.509 ' HE2' HD23 ' A' ' 98' ' ' LEU . 29.0 mtpp -89.07 170.3 10.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.579 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.7 mtt-85 -76.99 147.08 37.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.968 0.413 . . . . 0.0 111.212 -174.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.0 t -63.49 -27.65 43.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.266 172.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.564 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 42.2 m80 -66.0 -11.79 50.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.438 177.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.01 -47.96 40.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.425 HD21 HD11 ' A' ' 121' ' ' LEU . 7.5 mp -72.3 -36.97 69.08 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.464 177.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.564 ' HB3' ' HA ' ' A' ' 19' ' ' HIS . . . -56.77 -29.67 62.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.403 174.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.486 ' HD3' ' CD1' ' A' ' 51' ' ' ILE . 33.7 ttm180 -70.8 -40.27 72.64 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.4 t -60.43 -43.19 93.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.701 174.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 55.0 tttm -57.9 -47.34 83.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.526 175.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.446 ' O ' HG23 ' A' ' 30' ' ' VAL . 77.8 t80 -57.56 -49.06 77.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.518 ' O ' HG23 ' A' ' 31' ' ' VAL . 53.7 mtt -57.89 -42.54 84.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.553 177.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -59.66 -52.62 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.328 176.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -57.66 -46.95 83.57 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.895 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.479 HG12 ' HB2' ' A' ' 36' ' ' PHE . 73.0 t -59.17 -46.24 92.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 27' ' ' MET . 50.2 t -69.42 -32.23 52.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.056 0.455 . . . . 0.0 110.947 -177.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -88.09 -7.99 56.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.121 0.486 . . . . 0.0 110.912 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 18.7 t -97.47 153.11 18.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.377 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.77 -10.09 11.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.433 HG22 ' CD2' ' A' ' 36' ' ' PHE . 28.0 m -53.26 -46.02 69.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.644 175.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.479 ' HB2' HG12 ' A' ' 30' ' ' VAL . 19.2 m-85 -143.05 14.4 1.88 Allowed 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 33' ' ' SER . 37.8 ttpt -68.03 -13.29 62.07 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.155 0.502 . . . . 0.0 110.664 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.91 -18.33 72.44 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.764 -0.731 . . . . 0.0 111.887 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -100.18 136.0 20.19 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.91 -67.95 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.595 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 105' ' ' ALA . 40.3 mm -136.41 152.73 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.674 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 24.2 m-85 -89.68 -167.14 1.77 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.678 0.275 . . . . 0.0 110.799 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.863 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 6.4 m-20 -143.17 -178.23 5.74 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -177.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.41 ' O ' ' HB ' ' A' ' 47' ' ' THR . 17.1 m170 -69.24 -23.27 63.84 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.02 75.39 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.346 172.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 54.7 m-70 -69.43 -23.46 63.69 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.154 175.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.415 ' O ' HG12 ' A' ' 51' ' ' ILE . 90.7 m -65.68 -53.34 42.38 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 169.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 1.053 ' HG3' ' HB3' ' A' ' 132' ' ' LYS . 59.0 ttt180 -50.41 -47.87 56.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.464 174.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.497 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 32.2 mt-10 -57.46 -58.5 8.0 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.992 177.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -67.5 -41.03 85.13 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -174.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.486 ' CD1' ' HD3' ' A' ' 23' ' ' ARG . 41.5 mm -64.46 -36.06 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.804 0.335 . . . . 0.0 110.453 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -61.96 -46.39 89.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.159 174.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.2 m -64.9 -29.6 70.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.021 0.439 . . . . 0.0 111.017 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -66.78 -42.89 85.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.96 0.41 . . . . 0.0 110.27 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.5 mt -74.6 -32.91 30.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.308 0.575 . . . . 0.0 110.223 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.75 -31.27 71.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.366 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -59.17 -38.38 79.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.48 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -77.52 -33.99 54.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.954 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.6 -34.11 72.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.023 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 90.8 m -63.93 -38.58 91.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.071 176.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -69.68 -40.0 76.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.539 0.685 . . . . 0.0 109.22 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.548 ' HA ' HD23 ' A' ' 82' ' ' LEU . 58.9 tp -61.85 -42.05 98.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.688 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -67.39 -31.82 72.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.928 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -67.54 -44.49 78.18 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.419 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.2 mt -65.3 -40.13 93.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.218 0.532 . . . . 0.0 109.565 175.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -56.02 -44.54 78.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.423 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -70.76 -43.11 69.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.033 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.451 ' HG2' ' HD2' ' A' ' 74' ' ' PRO . 3.2 ttmp? -64.66 -29.94 70.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.792 -177.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 20.7 ttt180 -57.86 -35.65 71.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.852 177.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -71.56 -15.39 62.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.38 -176.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.6 t -86.11 -68.25 0.75 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.101 -177.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -136.06 10.72 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.528 -176.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.624 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 80.9 mtm180 51.83 45.32 2.63 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -174.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.624 ' HD3' ' N ' ' A' ' 73' ' ' ARG . 24.6 Cg_exo -63.58 -55.27 0.73 Allowed 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 121.922 1.748 . . . . 0.0 113.83 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.473 ' HD3' ' HB2' ' A' ' 74' ' ' PRO . 9.5 Cg_exo -71.89 -52.93 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 121.695 1.597 . . . . 0.0 112.122 -178.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.1 m 55.34 -87.88 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.793 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -69.27 -29.24 67.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.262 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.95 -31.49 72.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.193 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -66.39 -47.68 72.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.314 0.578 . . . . 0.0 109.743 177.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.1 t -67.21 -35.76 74.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.287 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.44 -41.61 84.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.362 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 62' ' ' LEU . 36.3 tp -66.8 -36.55 82.64 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 175.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -60.78 -43.58 97.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.162 174.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -65.59 -33.77 76.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -40.82 75.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.335 0.588 . . . . 0.0 109.433 177.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.453 ' HD2' HD22 ' A' ' 62' ' ' LEU . 27.8 ttt-85 -57.26 -53.99 51.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.702 173.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.511 ' HA ' HD12 ' A' ' 90' ' ' LEU . 1.3 m-20 -63.71 -33.01 74.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.314 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.07 -49.41 76.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.719 0.295 . . . . 0.0 110.651 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -67.02 -30.11 70.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.233 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 87' ' ' ASP . 95.5 mt -65.5 -39.32 91.73 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.499 175.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -67.92 -38.35 82.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.308 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -69.48 -33.52 73.0 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.587 ' HD1' ' HB2' ' A' ' 97' ' ' PHE . 1.6 t80 -66.11 -36.37 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.734 175.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -75.65 -13.18 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.948 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.25 -16.37 16.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.591 177.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.03 90.41 0.9 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.988 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.587 ' HB2' ' HD1' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -76.47 138.75 40.49 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -179.436 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.509 HD23 ' HE2' ' A' ' 16' ' ' LYS . 32.4 tp -80.21 97.11 6.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.125 0.488 . . . . 0.0 110.742 -177.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.725 ' HB2' HD12 ' A' ' 129' ' ' ILE . 73.4 m -128.06 152.38 77.47 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.926 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -80.17 151.27 20.65 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 121.877 1.718 . . . . 0.0 111.729 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.17 102.1 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 174.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.674 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 13.8 tp -79.23 5.87 11.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.182 -172.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.863 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 7.3 p -113.27 6.04 17.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.494 -177.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -95.55 124.43 39.57 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.095 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.451 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -67.17 -45.69 76.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.776 -175.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -69.0 -43.13 75.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.788 0.328 . . . . 0.0 110.672 -176.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.56 HD22 ' HA ' ' A' ' 124' ' ' LEU . 10.8 m120 -73.36 -23.15 60.17 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.725 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.535 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 29.2 ttm -75.85 -27.07 57.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 171.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -70.03 -42.55 72.79 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 173.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -60.76 -39.14 87.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.912 171.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.457 HD21 ' HB3' ' A' ' 27' ' ' MET . 4.0 tp -60.0 -45.8 91.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.049 176.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 108' ' ' MET . 74.5 mtt180 -60.27 -33.6 72.54 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.304 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -99.66 18.31 18.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.938 -175.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.699 ' HA ' HD13 ' A' ' 120' ' ' LEU . 24.1 t90 -68.93 108.8 3.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.356 0.598 . . . . 0.0 110.09 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -86.12 18.06 3.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.341 -174.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.23 47.19 24.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.449 -0.881 . . . . 0.0 111.09 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.604 HG23 ' HB2' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -120.65 142.84 49.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.923 0.392 . . . . 0.0 110.959 -175.35 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -80.64 -23.49 39.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.963 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -72.89 -26.92 69.96 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.149 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.699 HD13 ' HA ' ' A' ' 114' ' ' TRP . 2.9 tt -73.94 -20.16 60.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.232 0.539 . . . . 0.0 109.777 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.425 HD11 HD21 ' A' ' 21' ' ' LEU . 97.4 mt -63.95 -29.98 71.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.051 0.453 . . . . 0.0 110.328 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -73.75 -21.78 60.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 70.0 p -94.98 2.47 55.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.128 0.49 . . . . 0.0 110.511 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.56 ' HA ' HD22 ' A' ' 107' ' ' ASN . 81.6 mt -103.61 143.17 33.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.359 177.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -80.48 73.15 7.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.19 0.519 . . . . 0.0 109.753 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.3 mt -83.89 105.15 14.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.358 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.519 HD12 ' HG3' ' A' ' 135' ' ' GLN . 11.1 pt -109.04 175.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.819 -173.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.453 ' NH1' ' HB3' ' A' ' 140' ' ' ASN . 33.4 mtp180 -96.85 117.54 31.32 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.725 HD12 ' HB2' ' A' ' 99' ' ' CYS . 55.9 mt -115.49 126.64 73.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.226 0.536 . . . . 0.0 110.807 -177.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.438 ' HA ' ' O ' ' A' ' 93' ' ' PHE . 40.8 t30 -108.74 166.32 10.89 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.212 -176.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 132' ' ' LYS . 19.1 t70 60.32 -95.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.897 0.748 . . . . 0.0 111.025 173.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 1.053 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . 95.1 mttt -156.36 86.47 1.01 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.75 21.01 54.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.631 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -100.56 106.42 17.94 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.197 -0.298 . . . . 0.0 110.197 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.519 ' HG3' HD12 ' A' ' 127' ' ' ILE . 53.9 tt0 -68.67 124.15 22.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.013 0.435 . . . . 0.0 110.929 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.0 t -92.51 93.66 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.87 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.4 m -80.88 142.27 14.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.229 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 111.54 -29.72 8.41 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.097 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 112.26 -38.14 3.37 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.636 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.453 ' HB3' ' NH1' ' A' ' 128' ' ' ARG . 58.6 t30 68.76 78.02 0.22 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.185 0.594 . . . . 0.0 111.397 177.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 C--O 1.248 0.991 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.776 176.431 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mmm . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -111.66 -167.57 1.2 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -68.09 -53.31 26.41 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 172.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 51.13 53.22 13.37 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.067 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -85.11 99.35 11.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.475 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.3 pt -71.21 170.2 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.938 -173.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.88 152.29 28.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.904 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.92 137.92 57.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.425 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -89.01 145.11 25.69 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.181 -176.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -63.81 -38.69 92.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 0.0 111.098 177.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -74.75 113.98 12.66 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.01 150.72 47.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.905 -176.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -78.54 83.88 4.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.084 -176.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -85.17 100.11 11.52 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 167.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -55.74 142.78 33.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.162 -167.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -53.7 -34.61 59.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.351 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 66.9 ttt180 -79.04 2.57 20.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.609 -174.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.8 p -63.44 -21.84 29.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 172.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -58.85 -30.29 67.6 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.187 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.438 ' HB3' HD12 ' A' ' 21' ' ' LEU . 29.8 tt0 -71.09 -49.7 41.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.414 -177.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 21' ' ' LEU . 4.4 mp -81.01 -11.33 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.532 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.25 -38.57 77.14 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.516 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -60.85 -44.98 96.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 110.239 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.9 t -68.72 -42.64 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.015 -178.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.6 -38.26 90.41 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.88 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -56.51 -48.41 77.26 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 175.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.438 ' O ' HG22 ' A' ' 31' ' ' VAL . 64.9 mtt -59.62 -43.74 93.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.593 177.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -59.03 -54.11 50.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.026 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.75 -39.71 89.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.486 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.474 HG12 ' HB2' ' A' ' 36' ' ' PHE . 53.8 t -68.53 -42.54 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 27' ' ' MET . 34.4 m -77.24 -21.19 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -89.9 -21.46 22.49 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.256 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.544 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 71.7 p -95.66 168.48 10.65 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.11 1.4 11.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.168 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.415 HG22 ' CD2' ' A' ' 36' ' ' PHE . 50.4 m -60.41 -47.51 85.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.832 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.474 ' HB2' HG12 ' A' ' 30' ' ' VAL . 30.0 m-85 -142.12 22.64 2.06 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.171 -0.211 . . . . 0.0 111.519 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 33' ' ' SER . 37.7 ttpt -61.27 -22.78 65.16 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.059 0.457 . . . . 0.0 110.765 177.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.83 -35.93 77.42 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.016 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -116.59 93.93 41.93 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -68.36 -21.25 41.31 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.799 2.332 . . . . 0.0 112.132 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 105' ' ' ALA . 20.3 mm -119.17 153.59 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.561 ' HB3' ' HB2' ' A' ' 46' ' ' HIS . 76.1 m-85 -130.2 -165.51 1.55 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.884 0.374 . . . . 0.0 110.943 -178.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -129.39 168.48 16.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -60.29 -26.09 66.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.687 0.28 . . . . 0.0 110.999 176.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.16 73.35 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.617 0.246 . . . . 0.0 110.647 173.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.593 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 72.6 m80 -76.23 -19.36 58.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.991 178.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.2 m -66.86 -55.0 16.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 169.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -48.94 -52.61 23.72 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.162 172.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.593 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 28.3 mt-10 -50.6 -61.51 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.213 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -72.95 -41.54 64.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 -173.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.76 -47.67 85.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.773 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -65.74 -35.52 80.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.646 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.2 p -73.06 -33.7 65.82 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.857 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -66.11 -34.59 78.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.032 0.444 . . . . 0.0 109.814 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 78.0 mt -72.9 -48.68 43.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.771 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -64.97 -17.44 64.4 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.188 -176.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.3 ttt-85 -56.24 -30.89 62.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.292 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -63.54 -27.91 69.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.552 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.7 -21.46 64.5 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.279 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.4 m -67.94 -34.42 76.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.133 0.492 . . . . 0.0 110.588 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -87.52 -18.34 30.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.285 0.564 . . . . 0.0 109.797 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.418 ' HB2' HD11 ' A' ' 82' ' ' LEU . 56.6 tp -74.79 -31.51 61.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.916 173.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.66 -31.33 72.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.694 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -59.39 -40.02 85.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.149 0.5 . . . . 0.0 110.005 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.5 mt -70.31 -32.14 69.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.399 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -68.54 -43.22 77.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.302 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -60.45 -39.28 86.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.365 174.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -63.05 -43.82 97.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.456 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.3 ttt85 -66.07 -29.16 69.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.824 177.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -70.22 -32.65 70.62 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.3 m -77.83 6.71 7.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.022 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.2 t30 77.35 21.64 1.03 Allowed 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.689 0.795 . . . . 0.0 110.321 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -115.83 87.69 18.98 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.736 174.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 15.1 Cg_exo -69.14 120.07 6.99 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.89 2.393 . . . . 0.0 111.804 176.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 74' ' ' PRO . 3.0 Cg_endo -86.48 121.86 1.97 Allowed 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.219 2.612 . . . . 0.0 111.908 177.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 80' ' ' VAL . 23.8 p -87.63 -75.48 0.41 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.766 0.317 . . . . 0.0 110.733 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -66.85 -32.98 74.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.335 -175.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.6 mmm-85 -65.16 -38.25 89.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.072 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -79.02 -39.86 32.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.725 -176.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.483 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 95.8 t -64.41 -51.13 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.541 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.21 -36.98 78.91 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.418 HD11 ' HB2' ' A' ' 62' ' ' LEU . 1.2 tm? -57.52 -57.27 13.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.519 176.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -60.2 -35.86 76.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.411 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 99.1 mt-30 -61.85 -51.02 69.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.692 -178.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 3.5 ttp180 -70.27 -36.33 74.36 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -177.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 86' ' ' ARG . 37.3 ttt-85 -56.89 -50.61 71.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.457 0.646 . . . . 0.0 109.965 175.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.513 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 25.1 t0 -63.59 -32.77 74.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.513 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -65.46 -39.97 92.63 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.821 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 69.9 mm-40 -55.47 -47.4 76.17 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.138 0.494 . . . . 0.0 110.001 177.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 90' ' ' LEU . 4.0 mm? -61.45 -45.86 92.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.364 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 60.0 mttm -60.76 -40.66 93.32 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.784 -179.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.482 ' HG2' ' HB2' ' A' ' 97' ' ' PHE . 42.2 tt0 -60.33 -49.28 78.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.146 -177.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -83.5 -5.15 59.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.062 0.458 . . . . 0.0 110.619 -177.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -86.85 -36.53 18.42 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.29 -31.39 54.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.538 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.2 88.53 1.08 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.834 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.482 ' HB2' ' HG2' ' A' ' 92' ' ' GLU . 53.2 t80 -80.34 151.82 29.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.83 0.347 . . . . 0.0 110.641 -177.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.576 ' HG ' ' HB3' ' A' ' 126' ' ' LEU . 13.4 tp -70.54 100.67 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.16 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.559 ' HB2' HD12 ' A' ' 129' ' ' ILE . 36.7 m -126.55 148.11 63.13 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.186 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.75 154.42 30.44 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.326 2.017 . . . . 0.0 112.217 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -80.28 125.72 30.23 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.551 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 41.5 mt -89.68 0.55 56.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -172.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 64.3 p -102.57 -2.89 27.6 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.834 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -94.57 109.06 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.45 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -66.68 -23.78 66.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.116 -174.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -67.4 -51.39 52.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.294 0.569 . . . . 0.0 109.628 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.58 ' HA ' ' HD2' ' A' ' 110' ' ' PHE . 27.2 m-80 -68.59 -34.23 75.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.25 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 92.3 mmm -64.28 -29.76 70.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.854 0.359 . . . . 0.0 110.302 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -71.06 -43.95 66.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.981 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.58 ' HD2' ' HA ' ' A' ' 107' ' ' ASN . 40.6 m-85 -60.82 -38.91 87.03 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.058 0.456 . . . . 0.0 109.986 175.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -39.52 94.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.001 177.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.2 mtp85 -65.78 -37.84 87.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.036 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -94.73 18.88 10.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.043 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.48 ' HA ' HD13 ' A' ' 120' ' ' LEU . 25.7 t90 -73.8 114.95 12.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.864 0.364 . . . . 0.0 110.463 -177.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -104.09 29.35 6.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.359 0.599 . . . . 0.0 110.474 -176.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 76.2 15.88 81.11 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.121 -175.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.548 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 2.6 m -73.29 122.32 21.79 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.919 -0.641 . . . . 0.0 110.949 -176.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -69.42 -36.55 76.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.882 0.372 . . . . 0.0 110.029 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.73 -29.98 71.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.855 175.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.548 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 10.9 mt -67.4 -21.29 65.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.762 0.315 . . . . 0.0 111.245 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.43 HD11 ' HG ' ' A' ' 21' ' ' LEU . 88.0 mt -75.22 -20.37 59.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.294 0.569 . . . . 0.0 110.025 177.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -91.75 -21.62 20.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.235 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.427 ' OG1' ' HA ' ' A' ' 120' ' ' LEU . 43.4 p -83.12 -23.35 33.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.081 0.467 . . . . 0.0 110.278 175.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 52.2 mt -78.91 136.11 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.849 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -74.78 68.77 1.75 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.451 0.643 . . . . 0.0 109.693 173.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.576 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . 49.1 mt -80.93 111.76 17.7 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.392 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 98' ' ' LEU . 31.3 pt -107.03 -178.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.685 -176.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.604 ' CB ' ' HB ' ' A' ' 136' ' ' VAL . 51.8 mtt180 -96.9 119.82 36.08 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.187 174.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' A' ' 99' ' ' CYS . 66.3 mt -119.91 134.24 64.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.13 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -126.24 152.6 45.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.871 0.367 . . . . 0.0 111.643 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.3 t70 66.16 -71.18 0.09 Allowed 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.844 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -122.93 -80.97 0.63 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.2 0.524 . . . . 0.0 109.728 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.13 38.76 1.23 Allowed Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' A' ' 129' ' ' ILE . 5.2 mm-40 -85.27 151.57 23.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.7 -170.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -91.45 112.33 24.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 -175.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.604 ' HB ' ' CB ' ' A' ' 128' ' ' ARG . 21.7 t -91.78 121.72 42.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 171.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.5 m -106.21 177.28 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.452 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -76.01 50.17 2.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.207 -0.52 . . . . 0.0 112.495 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -155.48 20.24 0.53 Allowed Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 121.273 -0.489 . . . . 0.0 111.928 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -113.03 -56.62 2.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.983 0.42 . . . . 0.0 109.904 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.557 175.359 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.2 mtp . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -138.33 174.35 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.076 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -85.51 -30.57 23.32 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 175.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -69.76 159.58 33.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.203 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -100.54 -23.05 14.79 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.43 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.6 tt -166.57 116.95 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 121.244 0.545 . . . . 0.0 111.418 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.26 130.18 35.03 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 174.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.51 77.19 9.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -173.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -100.59 -33.01 10.48 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 165.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -94.75 -167.17 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.691 171.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -135.28 170.2 16.3 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.49 -21.3 64.61 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.163 0.506 . . . . 0.0 110.605 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -101.52 121.71 42.48 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 170.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -59.96 -38.33 82.17 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.587 0.554 . . . . 0.0 111.425 -172.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -94.61 146.05 24.4 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -84.99 -171.99 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -168.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.408 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -63.01 -10.84 15.43 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.083 -173.393 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.54 -30.39 49.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.983 0.42 . . . . 0.0 110.802 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.07 -16.15 63.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.885 0.374 . . . . 0.0 110.374 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.518 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 16.5 mt-10 -108.63 -66.51 1.04 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.696 -175.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.93 -21.89 65.96 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -172.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.15 -17.69 64.88 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 13.1 mmt180 -63.37 -46.49 86.26 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.7 t -70.15 -35.66 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.174 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 76.9 tttt -61.74 -41.5 97.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.693 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.461 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 86.3 t80 -60.39 -48.15 83.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.915 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.505 ' O ' HG22 ' A' ' 31' ' ' VAL . 63.7 mtt -54.49 -48.71 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.487 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -60.67 -52.96 62.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.272 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -63.22 -42.58 99.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.478 -174.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.5 -39.29 85.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.917 HG23 ' HG3' ' A' ' 112' ' ' ARG . 27.3 m -87.4 -9.83 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 111.304 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 27.1 t-20 -92.94 -34.04 13.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.048 0.451 . . . . 0.0 110.293 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.9 p -85.01 166.5 16.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.75 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.53 1.58 3.91 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -178.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 m -52.86 -51.94 59.18 Favored 'General case' 0 N--CA 1.452 -0.375 0 O-C-N 123.571 0.544 . . . . 0.0 109.733 172.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -141.22 22.87 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.558 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 32' ' ' ASN . 28.4 ttpp -76.4 66.78 2.51 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 122.254 1.026 . . . . 0.0 109.047 173.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.02 -33.91 0.02 OUTLIER Glycine 0 C--N 1.311 -0.827 0 CA-C-N 113.347 -1.751 . . . . 0.0 109.779 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 14.9 mm100 -83.48 122.81 77.08 Favored Pre-proline 0 N--CA 1.452 -0.366 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 39' ' ' GLN . 26.8 Cg_exo -61.57 -71.94 0.03 OUTLIER 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.669 2.246 . . . . 0.0 112.936 -175.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.543 ' CD1' ' HA ' ' A' ' 105' ' ' ALA . 45.7 mm -127.76 157.32 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -176.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -110.03 -171.97 1.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.281 0.563 . . . . 0.0 111.816 -176.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -132.7 -167.77 1.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.777 -174.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.587 ' O ' ' HB ' ' A' ' 47' ' ' THR . 10.6 m170 -86.85 -24.12 25.05 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.446 -175.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' A' ' 48' ' ' ARG . . . -68.78 -43.82 74.91 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.226 0.536 . . . . 0.0 109.626 174.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 66.8 m80 -73.26 -14.78 61.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.196 175.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.587 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 51.5 m -68.02 -61.15 1.99 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.917 171.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 5.3 ptp180 -57.24 -35.43 69.71 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.386 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.481 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 18.4 mt-10 -55.53 -59.93 4.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.202 176.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.461 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 13.6 m-85 -72.69 -42.29 64.39 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -176.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 51' ' ' ILE . 10.5 mm -60.72 -51.22 75.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.582 -178.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.78 -30.26 65.35 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.4 -175.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -63.34 -34.52 77.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.03 0.443 . . . . 0.0 110.163 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -67.93 -35.16 77.95 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.8 mt -69.67 -36.17 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 121.466 0.65 . . . . 0.0 109.926 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.03 -26.74 68.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.909 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -46.74 -40.64 13.82 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.178 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' HB3' ' HB2' ' A' ' 86' ' ' ARG . 19.7 t70 -55.79 -42.68 75.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.029 0.442 . . . . 0.0 110.939 -177.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -66.73 -29.63 69.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.728 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.496 ' HA ' ' OD2' ' A' ' 63' ' ' ASP . 22.0 m -74.99 -33.13 61.81 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.159 0.504 . . . . 0.0 110.74 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -75.01 -30.15 61.04 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 172.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.533 HD11 ' HG3' ' A' ' 79' ' ' GLN . 38.7 tp -70.26 -25.85 63.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.45 176.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.496 ' OD2' ' HA ' ' A' ' 60' ' ' THR . 28.6 m-20 -59.05 -35.86 74.04 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.862 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.658 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 24.6 mm-40 -60.12 -38.0 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.558 175.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.514 HD12 HD12 ' A' ' 62' ' ' LEU . 84.7 mt -73.67 -36.27 65.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.622 0.249 . . . . 0.0 110.674 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 80.3 mttt -62.67 -35.97 81.37 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 122.031 0.919 . . . . 0.0 109.282 173.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -71.51 -31.95 67.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.193 -1.367 . . . . 0.0 111.024 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.658 ' HG3' ' O ' ' A' ' 64' ' ' GLU . 62.9 mttm -77.91 -15.22 59.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.013 0.435 . . . . 0.0 110.296 175.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.514 ' HD3' ' O ' ' A' ' 69' ' ' ARG . 4.2 tmt_? -73.02 -6.44 45.49 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.156 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -66.0 -4.81 7.82 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.204 0.526 . . . . 0.0 111.019 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.0 m -81.38 -163.51 0.63 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.43 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -74.37 -40.15 62.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.223 0.535 . . . . 0.0 109.769 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -134.74 146.47 59.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.301 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -72.44 169.2 22.29 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.193 2.595 . . . . 0.0 112.992 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.445 ' HG2' ' HB3' ' A' ' 65' ' ' LEU . 29.4 Cg_exo -63.89 -16.45 54.89 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.996 2.464 . . . . 0.0 112.395 176.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.9 t 52.47 -95.01 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.699 0.8 . . . . 0.0 112.407 175.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -61.93 -40.15 94.5 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.825 0.345 . . . . 0.0 110.765 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -63.75 -32.57 74.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.165 0.507 . . . . 0.0 110.233 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.533 ' HG3' HD11 ' A' ' 62' ' ' LEU . 49.8 tt0 -76.73 -45.26 29.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.456 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.525 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 74.4 t -63.95 -45.38 97.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.555 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.78 -40.71 89.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.61 HD12 ' HD2' ' A' ' 85' ' ' ARG . 55.0 tp -69.84 -44.76 69.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.375 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.457 ' HA ' HH12 ' A' ' 86' ' ' ARG . 48.2 tt0 -53.04 -35.54 59.61 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.193 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 95.6 mt-30 -65.49 -26.48 67.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.154 -177.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.61 ' HD2' HD12 ' A' ' 82' ' ' LEU . 75.5 mtt180 -60.26 -52.03 67.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.099 0.476 . . . . 0.0 109.939 178.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.72 HH11 ' HB3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -65.55 -41.0 93.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.724 177.862 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -62.9 -40.73 98.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.114 0.483 . . . . 0.0 110.359 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -64.79 -38.41 90.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.409 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.472 ' O ' ' HD1' ' A' ' 93' ' ' PHE . 45.4 mt-10 -65.37 -42.45 92.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.237 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.429 HD23 ' HG2' ' A' ' 86' ' ' ARG . 3.7 mm? -55.24 -41.65 72.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.789 0.328 . . . . 0.0 110.561 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -70.32 -46.98 63.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.51 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -58.73 -51.9 67.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.937 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.5 ' O ' ' HA ' ' A' ' 130' ' ' ASN . 42.3 m-85 -68.82 -28.46 66.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.644 -177.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -65.58 -33.65 76.41 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.297 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.94 2.52 38.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.97 98.62 1.44 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.233 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -82.94 153.02 25.26 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.4 tp -71.71 101.3 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.955 0.407 . . . . 0.0 110.119 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.471 ' HB2' HD12 ' A' ' 129' ' ' ILE . 85.1 m -128.29 147.79 65.12 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.907 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -75.99 154.29 37.82 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.068 1.845 . . . . 0.0 112.42 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.24 99.7 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 173.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.8 tp -83.23 -1.53 53.34 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.988 -173.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.9 m -113.06 15.9 19.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.514 -176.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -113.99 138.41 50.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.349 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.543 ' HA ' ' CD1' ' A' ' 41' ' ' ILE . . . -76.57 -31.37 57.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.308 -0.405 . . . . 0.0 112.082 -174.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -76.48 -47.31 23.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.001 0.429 . . . . 0.0 109.954 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -59.01 -45.73 89.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.538 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.526 ' HA ' ' HB3' ' A' ' 111' ' ' LEU . 41.6 ttm -69.02 -21.92 64.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -69.68 -40.56 76.31 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.047 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.404 ' HB3' HD21 ' A' ' 120' ' ' LEU . 34.9 m-85 -68.27 -43.42 77.82 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 172.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.526 ' HB3' ' HA ' ' A' ' 108' ' ' MET . 9.5 tt -56.61 -42.79 79.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.432 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.917 ' HG3' HG23 ' A' ' 31' ' ' VAL . 15.9 ttm-85 -69.37 -13.92 62.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 111.158 -176.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -116.96 11.89 14.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.187 0.517 . . . . 0.0 110.516 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.476 ' CZ2' ' HA2' ' A' ' 116' ' ' GLY . 70.5 t90 -69.0 110.01 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.369 178.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -92.75 28.09 2.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.956 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.476 ' HA2' ' CZ2' ' A' ' 114' ' ' TRP . . . 81.25 14.62 78.51 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.375 -0.917 . . . . 0.0 110.98 -174.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.741 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 2.0 m -67.62 113.5 5.48 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.263 -0.469 . . . . 0.0 110.624 -178.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -65.73 -43.17 89.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.27 -24.37 73.48 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.483 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.741 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 4.9 tt -64.7 -24.17 67.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.048 0.451 . . . . 0.0 109.935 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.474 HD23 HD12 ' A' ' 124' ' ' LEU . 96.2 mt -61.13 -22.15 64.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.396 . . . . 0.0 110.956 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -77.9 -20.72 52.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.757 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 34.8 p -89.67 -13.89 35.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.264 0.554 . . . . 0.0 109.812 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.474 HD12 HD23 ' A' ' 121' ' ' LEU . 82.3 mt -86.89 140.65 29.43 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.006 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -81.06 84.54 6.47 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.716 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 35.0 mt -96.17 124.5 40.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.178 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 17.5 pt -126.31 -176.53 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.1 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 128' ' ' ARG . 20.9 mtp180 -96.65 118.49 33.23 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.471 HD12 ' HB2' ' A' ' 99' ' ' CYS . 48.2 mt -119.4 128.02 75.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 121.065 0.46 . . . . 0.0 110.349 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 1.015 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 21.9 t-20 -68.91 152.77 44.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.908 177.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.536 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 1.8 t70 -33.37 -43.48 0.12 Allowed 'General case' 0 N--CA 1.475 0.798 0 O-C-N 124.694 1.247 . . . . 0.0 113.666 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.536 ' HG3' ' OD2' ' A' ' 131' ' ' ASP . 50.3 mttp -97.45 37.05 1.39 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.963 0.411 . . . . 0.0 111.909 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 63.88 36.6 93.5 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.333 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 1.015 ' HB2' ' HB3' ' A' ' 130' ' ' ASN . 71.3 mm-40 -99.1 137.48 37.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.818 0.342 . . . . 0.0 111.317 -176.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -66.41 119.1 11.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.759 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 37.5 t -121.99 124.31 71.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.947 0.403 . . . . 0.0 110.992 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 54.8 t -100.07 -61.26 2.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 170.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.03 -71.83 1.67 Allowed Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 114.996 -1.002 . . . . 0.0 113.496 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.92 35.19 40.06 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -171.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 60.6 t30 57.84 55.04 5.67 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.575 0.702 . . . . 0.0 109.878 -174.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--O 1.25 1.116 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.418 -178.829 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.735 0.303 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -64.58 165.83 9.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.281 -174.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -79.45 171.14 15.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.562 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -100.22 -5.31 27.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.613 0.72 . . . . 0.0 109.683 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -67.27 121.64 16.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.399 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.7 mt -103.68 130.39 54.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.05 147.5 27.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.057 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.23 170.3 16.47 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.845 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -70.91 88.59 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.143 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -159.49 -57.95 0.06 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.558 176.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -93.89 109.43 21.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.488 ' HB3' ' OE1' ' A' ' 88' ' ' GLN . 90.8 mt -70.92 82.8 0.66 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.736 -174.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -178.88 -39.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.502 175.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -123.18 98.55 5.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.161 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -134.57 174.58 10.39 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.587 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' C ' ' H ' ' A' ' 18' ' ' VAL . 75.7 mmtt -56.58 149.72 16.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.786 0.327 . . . . 0.0 110.424 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -75.81 17.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.083 0.468 . . . . 0.0 110.952 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.435 ' H ' ' C ' ' A' ' 16' ' ' LYS . 92.7 t -58.68 -31.62 44.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.298 175.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -56.0 -38.52 70.57 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.396 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -94.03 -60.18 1.8 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.032 -175.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.3 mt -69.05 -31.85 70.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.563 -168.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.34 -31.13 68.29 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.982 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.69 ' HD3' HD12 ' A' ' 51' ' ' ILE . 83.8 mtt180 -65.09 -41.37 95.07 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.44 -42.56 84.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.527 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 11.4 tmtt? -58.16 -45.31 87.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.642 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -56.56 -45.82 81.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.455 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.634 ' SD ' HD21 ' A' ' 102' ' ' LEU . 63.0 mtt -62.75 -49.97 72.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 178.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 111' ' ' LEU . 35.1 tt0 -53.33 -48.2 68.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.299 0.571 . . . . 0.0 110.418 177.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.55 -52.93 63.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.813 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.496 HG13 ' HB2' ' A' ' 36' ' ' PHE . 54.9 t -58.25 -42.42 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.2 t -71.0 -32.73 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.091 0.472 . . . . 0.0 111.411 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -103.16 7.81 38.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.547 -174.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.654 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 35.5 t -122.82 148.05 45.84 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -63.4 1.69 0.5 Allowed 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.5 m -56.6 -54.13 49.61 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.682 0.277 . . . . 0.0 110.725 175.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.496 ' HB2' HG13 ' A' ' 30' ' ' VAL . 71.2 m-85 -141.16 29.22 1.84 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.037 0.446 . . . . 0.0 110.116 176.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.654 ' HB2' ' O ' ' A' ' 33' ' ' SER . 61.0 tttm -66.74 -11.8 56.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.393 -175.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.77 -18.52 72.38 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.557 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -116.34 94.42 42.52 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.7 -29.01 36.6 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.825 2.35 . . . . 0.0 112.41 -177.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.474 HD13 ' HG3' ' A' ' 108' ' ' MET . 21.6 mm -122.08 136.9 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.032 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -114.16 156.35 24.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.056 0.455 . . . . 0.0 110.599 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -93.12 179.39 5.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.463 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.564 ' O ' ' HB ' ' A' ' 47' ' ' THR . 18.3 m-70 -77.05 -24.09 52.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.885 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.64 -39.47 52.21 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -64.98 -23.63 67.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.466 172.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.564 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 99.9 m -61.24 -57.51 12.1 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 171.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.476 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 20.2 ttt180 -55.83 -40.23 72.51 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.335 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.14 -58.44 8.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.277 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -65.94 -36.32 83.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.872 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.69 HD12 ' HD3' ' A' ' 23' ' ' ARG . 23.2 mm -62.99 -46.65 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.987 176.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -64.38 -36.47 84.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.724 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 34.9 t -56.68 -46.39 81.18 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.023 0.439 . . . . 0.0 110.307 177.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -61.86 -44.77 96.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.675 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.674 HG22 ' HE ' ' A' ' 86' ' ' ARG . 36.4 mt -69.62 -33.68 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.69 -30.76 69.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.927 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 53' ' ' SER . 66.3 mtt-85 -78.07 -17.12 57.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.668 -177.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.14 -38.24 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 172.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.411 ' HB2' ' HD2' ' A' ' 86' ' ' ARG . 17.7 t70 -67.27 -20.43 65.64 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.252 177.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.41 ' OG1' ' HA ' ' A' ' 57' ' ' ARG . 24.5 m -64.29 -29.55 70.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.48 177.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -83.81 -29.75 27.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.542 0.687 . . . . 0.0 109.155 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 37.3 tp -67.34 -48.12 68.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.584 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.453 ' HA ' ' HB3' ' A' ' 66' ' ' LYS . 28.1 t70 -72.73 -21.07 61.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -61.94 -41.42 97.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 174.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.7 mt -68.16 -39.6 82.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.001 174.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.453 ' HB3' ' HA ' ' A' ' 63' ' ' ASP . 27.2 ttpp -71.02 -28.25 64.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.657 -174.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -64.42 -23.57 67.33 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.793 0.33 . . . . 0.0 111.543 176.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.654 ' HB3' ' O ' ' A' ' 71' ' ' SER . 65.0 mttm -77.99 -47.05 19.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.347 -174.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.504 ' HG2' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 51.48 -62.1 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.58 1.552 . . . . 0.0 114.441 -177.502 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.504 ' H ' ' HG2' ' A' ' 69' ' ' ARG . 49.5 ttm-85 -116.39 -41.86 3.07 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.911 -0.493 . . . . 0.0 110.419 178.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.654 ' O ' ' HB3' ' A' ' 68' ' ' LYS . 15.6 m -65.68 132.76 49.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.329 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.535 ' HB3' ' HD3' ' A' ' 68' ' ' LYS . 46.1 t-20 73.7 -32.28 0.24 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.444 0.697 . . . . 0.0 110.29 -178.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.512 ' H ' ' C ' ' A' ' 71' ' ' SER . 10.7 mtm180 73.66 102.66 0.03 OUTLIER Pre-proline 0 C--N 1.333 -0.147 0 C-N-CA 123.892 0.877 . . . . 0.0 110.538 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 35.9 Cg_endo -64.95 136.84 50.33 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.7 2.267 . . . . 0.0 112.063 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.887 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 37.0 Cg_exo -60.04 113.53 1.7 Allowed 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.778 2.318 . . . . 0.0 111.794 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.0 p -59.17 -31.74 69.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.842 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -86.98 -51.58 5.94 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.856 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.887 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 82.7 mtt180 -59.08 -43.29 91.8 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.2 -47.14 85.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 0.0 110.554 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.44 -43.05 87.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.629 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.9 tp -63.09 -42.48 99.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.705 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.4 tp -67.2 -41.18 86.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.917 0.389 . . . . 0.0 110.221 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -57.96 -48.93 78.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.914 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -71.95 -24.63 61.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.995 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.6 ttp85 -65.94 -46.95 76.3 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.674 ' HE ' HG22 ' A' ' 55' ' ' ILE . 60.3 ttt180 -67.94 -34.61 76.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.854 176.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -55.73 -47.91 76.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.274 175.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.488 ' OE1' ' HB3' ' A' ' 12' ' ' LEU . 36.5 tt0 -63.89 -43.33 96.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.475 177.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -57.34 -45.14 84.63 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.304 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.37 -47.56 70.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.072 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.23 -36.71 82.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.861 0.362 . . . . 0.0 110.656 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.32 -40.51 89.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.302 0.572 . . . . 0.0 109.906 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.445 ' CE1' HG21 ' A' ' 51' ' ' ILE . 33.0 t80 -72.57 -28.19 62.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.817 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -74.96 -37.89 61.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.593 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.28 -39.79 28.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.016 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 145.43 112.24 0.77 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.804 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -116.58 154.49 30.39 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.17 -0.308 . . . . 0.0 110.17 -178.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.1 tp -70.12 98.96 1.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.349 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.514 ' HB2' HD12 ' A' ' 129' ' ' ILE . 38.6 m -128.15 141.61 41.85 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.703 ' HA ' ' HA ' ' A' ' 126' ' ' LEU . 64.1 Cg_endo -75.29 147.33 32.71 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.246 1.964 . . . . 0.0 112.853 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -71.02 114.68 9.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.27 176.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.634 HD21 ' SD ' ' A' ' 27' ' ' MET . 44.0 mt -87.19 -16.83 34.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.807 -177.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.7 p -89.16 21.77 3.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.281 0.562 . . . . 0.0 111.152 -172.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -127.52 125.87 41.18 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.547 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.58 -28.06 62.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.002 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 32.2 mttp -69.8 -36.59 75.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.528 ' OD1' HD23 ' A' ' 124' ' ' LEU . 52.1 t30 -71.74 -37.52 70.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.406 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.529 ' SD ' HD12 ' A' ' 111' ' ' LEU . 20.0 mmt -60.45 -32.89 71.81 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.895 0.378 . . . . 0.0 110.502 173.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.491 ' HB3' ' O ' ' A' ' 106' ' ' LYS . 38.4 tt0 -59.35 -48.28 82.22 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.479 ' HB3' ' HG ' ' A' ' 124' ' ' LEU . 59.3 m-85 -59.26 -33.6 71.24 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.514 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.529 HD12 ' SD ' ' A' ' 108' ' ' MET . 19.6 mt -63.11 -32.97 74.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.95 0.405 . . . . 0.0 110.794 175.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -80.91 -1.81 45.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.399 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -105.48 -30.48 9.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.768 0.318 . . . . 0.0 110.693 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.723 ' HA ' HD13 ' A' ' 120' ' ' LEU . 26.6 t90 -64.97 127.31 31.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.164 0.507 . . . . 0.0 110.751 -178.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -126.92 9.99 6.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.569 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 119.96 -14.72 10.4 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.351 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.2 m -57.31 123.66 16.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 111.064 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.544 ' HA ' HD23 ' A' ' 121' ' ' LEU . 85.6 m-85 -71.51 -33.35 69.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.529 -174.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.26 -18.34 69.23 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.546 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.723 HD13 ' HA ' ' A' ' 114' ' ' TRP . 2.3 tt -79.08 -11.61 59.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.087 0.47 . . . . 0.0 110.105 -177.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 118' ' ' PHE . 3.8 mm? -75.57 -5.55 45.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.212 0.529 . . . . 0.0 110.431 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -99.92 -23.2 15.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.98 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 81.7 p -87.32 -33.36 19.23 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.445 0.64 . . . . 0.0 109.42 176.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.528 HD23 ' OD1' ' A' ' 107' ' ' ASN . 0.7 OUTLIER -70.88 131.98 44.57 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.423 169.399 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 100' ' ' PRO . 14.0 mtm180 -79.34 80.16 5.73 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.05 -177.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.703 ' HA ' ' HA ' ' A' ' 100' ' ' PRO . 8.8 mp -94.87 117.09 29.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 171.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.648 HG13 HG13 ' A' ' 129' ' ' ILE . 29.3 pt -112.63 -171.2 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.384 -177.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 128' ' ' ARG . 29.1 mtm-85 -96.74 103.6 15.53 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.648 HG13 HG13 ' A' ' 127' ' ' ILE . 35.6 mt -113.92 130.93 67.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.146 -174.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -118.63 144.11 46.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.263 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 46.04 -104.29 0.09 Allowed 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.476 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 39.4 tttm -86.53 50.53 2.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.556 0.693 . . . . 0.0 111.13 -169.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.46 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 62.29 25.89 67.18 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.961 175.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -94.56 137.04 34.17 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.013 0.406 . . . . 0.0 110.34 -174.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -77.32 125.38 29.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.198 0.523 . . . . 0.0 110.219 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 17.3 t -82.89 102.23 8.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.245 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 11.1 m -76.98 -42.02 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.65 -144.07 39.68 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.537 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -95.99 32.49 6.33 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.897 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -128.5 91.46 3.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.959 0.409 . . . . 0.0 110.427 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 C--O 1.245 0.826 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.871 176.267 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -102.69 -28.74 11.93 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 169.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.478 ' HB2' ' H ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -116.55 -154.88 0.56 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.064 172.151 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.478 ' H ' ' HB2' ' A' ' 3' ' ' GLU . 5.5 m-20 -70.46 -76.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -176.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.9 mttm 66.92 12.21 8.8 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.633 0.583 . . . . 0.0 110.704 -171.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.0 mt -106.42 113.72 43.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.734 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -122.59 170.54 9.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.171 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.48 133.26 48.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.417 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.85 141.06 55.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -82.83 32.23 0.42 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.857 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -113.55 148.63 35.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.436 -175.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.8 mt -76.92 -24.43 52.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.282 0.563 . . . . 0.0 109.951 175.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -144.35 149.9 36.92 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -70.09 173.3 6.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.096 0.474 . . . . 0.0 111.891 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.21 -64.76 0.76 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.756 -175.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -96.02 132.49 41.32 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.45 ' O ' HD13 ' A' ' 21' ' ' LEU . 8.7 mtm180 -119.16 -161.23 0.84 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.357 -174.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.413 HG12 ' HB2' ' A' ' 22' ' ' ALA . 25.8 t -95.93 -11.84 8.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.532 0.682 . . . . 0.0 109.279 176.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -58.5 -38.95 78.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.704 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -85.44 -51.85 6.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.562 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 17' ' ' ARG . 9.8 mp -63.13 -35.66 81.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.347 -172.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.413 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -60.9 -32.27 71.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.838 0.351 . . . . 0.0 111.466 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -77.03 -27.53 54.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.507 -177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.68 -40.46 84.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.949 174.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.685 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 15.7 tttm -72.15 -28.97 63.59 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.617 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.481 ' O ' HG23 ' A' ' 30' ' ' VAL . 85.8 t80 -61.77 -48.04 82.47 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 174.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.686 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.7 mtt -56.13 -48.33 76.44 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 174.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.539 ' HG3' ' HA ' ' A' ' 112' ' ' ARG . 31.4 tt0 -50.71 -56.81 10.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.39 177.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -45.96 82.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.171 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.592 HG12 ' HB2' ' A' ' 36' ' ' PHE . 94.2 t -63.93 -44.64 98.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -177.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 27' ' ' MET . 12.4 t -75.01 -31.8 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.105 0.479 . . . . 0.0 111.186 -177.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -86.38 -29.79 22.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.964 0.412 . . . . 0.0 111.027 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 40.7 t -85.67 164.75 17.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.057 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.4 -5.82 12.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.052 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.2 m -50.45 -53.08 32.29 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.836 176.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.592 ' HB2' HG12 ' A' ' 30' ' ' VAL . 14.9 m-85 -142.79 23.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.785 177.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' ' 33' ' ' SER . 7.2 ttpm? -65.65 -12.15 50.98 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.19 0.519 . . . . 0.0 110.437 178.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.94 -22.05 76.97 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.764 173.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -116.56 109.92 43.19 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.99 -45.74 30.29 Favored 'Trans proline' 0 N--CA 1.471 0.174 0 C-N-CA 122.813 2.342 . . . . 0.0 113.228 -175.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.597 HD11 ' HA ' ' A' ' 105' ' ' ALA . 16.8 mt -137.84 151.64 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -178.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -95.07 -179.52 4.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.595 0.712 . . . . 0.0 112.054 -174.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.478 ' H ' ' HB2' ' A' ' 46' ' ' HIS . 2.2 m-20 -95.24 166.11 12.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.814 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.497 ' O ' ' HB ' ' A' ' 47' ' ' THR . 11.5 m-70 -71.95 -29.61 64.45 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 171.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.89 -27.14 66.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.498 172.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.478 ' HB2' ' H ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -79.35 -21.88 45.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.109 176.188 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.497 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 97.4 m -60.57 -60.24 4.12 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 172.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.783 HH11 ' HB3' ' A' ' 132' ' ' LYS . 19.2 ptt180 -60.45 -32.15 71.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.607 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.39 -56.26 22.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.244 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -69.52 -49.99 49.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.983 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.9 mm -62.31 -48.44 88.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.568 -174.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -69.53 -42.52 74.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.201 -176.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.2 m -60.99 -33.58 73.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.748 0.309 . . . . 0.0 110.949 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -65.9 -37.22 85.52 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.45 ' HA ' ' OE2' ' A' ' 89' ' ' GLU . 69.4 mt -69.52 -42.43 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.354 0.597 . . . . 0.0 110.284 175.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.44 -18.68 65.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.611 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 57' ' ' ARG . 10.3 ttt180 -63.1 -23.8 67.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.666 0.269 . . . . 0.0 110.96 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.461 ' CG ' HH21 ' A' ' 85' ' ' ARG . 21.7 t0 -63.47 -22.13 66.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.253 0.549 . . . . 0.0 110.035 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.11 -25.34 62.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.012 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.6 m -78.26 -36.17 47.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.173 176.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.5 -35.3 75.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.49 HD11 ' HG3' ' A' ' 79' ' ' GLN . 59.5 tp -69.72 -27.31 64.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.517 174.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.522 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 34.4 t70 -62.72 -29.2 70.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.326 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -59.91 -37.78 80.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.943 173.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.404 HD22 ' HG2' ' A' ' 75' ' ' PRO . 90.3 mt -79.1 -30.69 43.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.36 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HD2' ' HA ' ' A' ' 63' ' ' ASP . 92.1 mttt -63.4 -44.96 93.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.38 177.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.422 ' HE3' ' OD2' ' A' ' 63' ' ' ASP . 95.5 mttt -67.68 -38.17 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.994 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -83.79 24.74 0.86 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -175.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -70.78 94.51 1.04 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 166.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 70' ' ' ARG . 25.3 mtm180 -80.37 72.43 7.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.066 0.46 . . . . 0.0 111.792 -170.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 t 65.82 -73.7 0.06 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.896 173.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -76.81 -41.11 45.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.598 0.237 . . . . 0.0 111.468 -169.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -152.19 152.04 28.74 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-O 120.921 0.391 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -89.25 -179.29 1.99 Allowed 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.451 2.767 . . . . 0.0 110.255 169.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.404 ' HG2' HD22 ' A' ' 65' ' ' LEU . 23.5 Cg_exo -64.81 85.88 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.01 1.806 . . . . 0.0 111.439 174.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.1 m -48.66 -48.49 39.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.532 -173.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -89.51 -46.06 8.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.45 -27.43 65.24 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -172.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.49 ' HG3' HD11 ' A' ' 62' ' ' LEU . 53.1 tt0 -71.96 -39.7 69.17 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.72 -35.65 66.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.903 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.32 -42.89 99.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.274 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 1.2 tm? -58.19 -49.65 76.31 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 174.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -58.24 -39.93 80.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.125 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.26 -29.05 65.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.298 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.461 HH21 ' CG ' ' A' ' 58' ' ' ASP . 3.5 tmm_? -68.1 -49.4 61.45 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 174.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -53.7 -42.87 68.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.225 174.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.33 -48.67 72.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.274 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.723 ' HA ' ' HD2' ' A' ' 91' ' ' LYS . 48.9 tt0 -61.77 -36.35 80.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.411 . . . . 0.0 110.869 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.45 ' OE2' ' HA ' ' A' ' 55' ' ' ILE . 22.1 tt0 -65.65 -44.46 86.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.5 178.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -64.9 -26.95 68.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.256 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.723 ' HD2' ' HA ' ' A' ' 88' ' ' GLN . 62.4 mttt -65.51 -52.5 52.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.645 174.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.51 -37.48 87.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.785 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.82 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 49.2 t80 -66.72 -53.06 37.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.144 177.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.748 ' HA ' ' OD1' ' A' ' 130' ' ' ASN . 1.2 ttpm? -81.64 10.55 5.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.687 -171.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -109.5 10.77 25.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.226 0.536 . . . . 0.0 109.842 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.13 80.28 1.49 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.314 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.82 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 60.7 t80 -75.62 145.34 41.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.804 0.335 . . . . 0.0 110.688 -175.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.7 tp -74.37 96.09 2.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.929 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 52.4 t -128.51 142.84 46.1 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.494 -175.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.77 149.97 89.62 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.314 2.01 . . . . 0.0 111.022 172.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.31 -28.67 69.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.366 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.458 HD21 ' SD ' ' A' ' 27' ' ' MET . 81.7 mt 56.53 36.97 28.41 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.115 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.2 m -135.27 -33.48 0.9 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.665 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.66 131.69 35.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.707 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.597 ' HA ' HD11 ' A' ' 41' ' ' ILE . . . -72.85 -34.61 66.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.208 -175.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -75.42 -33.76 60.97 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.783 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -64.76 -35.88 82.49 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 170.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -36.22 83.13 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.022 175.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 105' ' ' ALA . 43.2 mm-40 -64.58 -54.84 25.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.381 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -58.9 -32.71 69.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.472 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.87 -43.87 97.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.441 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.539 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 66.4 mtm180 -75.91 -18.72 59.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.46 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -105.47 18.24 22.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.981 0.419 . . . . 0.0 111.184 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.685 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 60.7 t90 -81.03 103.13 10.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.254 0.55 . . . . 0.0 110.458 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -88.64 10.18 21.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.705 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 109.7 -5.51 31.07 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.047 176.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.867 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 6.3 m -60.79 127.0 29.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.709 0.29 . . . . 0.0 111.31 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -70.82 -37.43 73.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.327 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -69.07 -15.67 69.88 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.535 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.867 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 3.3 tt -71.76 -25.68 62.14 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.76 -20.28 66.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.399 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -76.67 -17.77 58.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.656 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 42.6 p -94.16 -8.36 39.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.462 0.649 . . . . 0.0 109.971 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 64.5 mt -98.31 130.48 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.287 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.4 mtt85 -78.5 78.74 4.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.918 0.866 . . . . 0.0 110.098 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 35.4 mt -89.14 107.03 18.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.169 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.521 HD12 ' HG3' ' A' ' 135' ' ' GLN . 18.4 pt -106.95 -176.2 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.832 -174.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -96.77 111.05 23.39 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.855 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 48.6 mt -116.01 133.89 61.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.748 ' OD1' ' HA ' ' A' ' 94' ' ' LYS . 60.0 t30 -137.68 162.4 33.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.985 0.421 . . . . 0.0 111.42 -174.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.8 t70 70.87 -87.35 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 114.464 -1.244 . . . . 0.0 112.18 170.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.783 ' HB3' HH11 ' A' ' 48' ' ' ARG . 9.0 mtmp? -135.57 22.79 3.4 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.659 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 109.92 30.72 3.35 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.252 -0.975 . . . . 0.0 113.38 172.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -106.58 144.75 32.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.998 0.428 . . . . 0.0 110.901 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.521 ' HG3' HD12 ' A' ' 127' ' ' ILE . 53.8 tt0 -78.08 120.25 22.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.841 -176.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.6 t -96.8 107.62 20.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.883 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 32.6 m -91.74 171.39 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.749 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -99.74 5.48 58.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.264 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 84.31 13.19 74.36 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.111 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -105.89 -53.77 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.233 0.54 . . . . 0.0 109.745 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.111 -0.947 . . . . 0.0 109.192 178.292 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -96.42 114.0 25.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.005 -176.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -78.05 159.02 28.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.537 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -97.71 157.12 16.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.108 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -78.18 -29.47 48.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.478 0.656 . . . . 0.0 109.296 174.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.4 mt -121.24 122.39 67.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.461 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.9 161.94 27.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.482 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.75 -29.66 66.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.165 0.507 . . . . 0.0 110.904 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -117.38 162.03 18.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.965 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.556 ' NZ ' ' HB3' ' A' ' 10' ' ' LYS . 5.7 mtpm? -76.46 133.33 39.85 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.18 0.514 . . . . 0.0 112.291 -176.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.1 124.04 18.64 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 163.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 92.9 mt -81.26 -84.06 0.11 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -167.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 60.8 t-80 165.95 -25.53 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -168.4 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -123.68 29.23 6.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.732 -177.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -67.69 -32.88 73.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.004 -174.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -117.47 140.75 49.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.645 175.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -74.18 0.92 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -171.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.504 ' HA ' ' HB2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -72.91 0.58 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.348 176.874 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -83.68 -26.74 29.56 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 173.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -84.79 -37.59 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 172.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 84.8 mt -67.69 -27.84 67.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.899 174.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 18' ' ' VAL . . . -62.11 -21.99 65.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.291 176.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -69.91 -37.66 76.03 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.9 t -68.63 -39.36 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.566 173.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -65.3 -33.54 76.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.823 177.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.447 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.5 t80 -59.54 -45.59 91.35 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.646 ' O ' HG23 ' A' ' 31' ' ' VAL . 61.3 mtt -57.49 -47.9 80.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.688 174.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -52.61 -54.09 37.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.051 176.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.09 -47.48 71.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.558 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.517 HG12 ' HB2' ' A' ' 36' ' ' PHE . 77.4 t -62.72 -42.28 95.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 -177.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 27' ' ' MET . 11.8 t -72.22 -15.86 18.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 121.257 0.551 . . . . 0.0 110.63 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -105.04 -1.58 25.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.744 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 t -105.1 164.89 11.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.082 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -65.7 -20.76 66.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.704 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 m -47.78 -48.72 30.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.517 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.517 ' HB2' HG12 ' A' ' 30' ' ' VAL . 22.7 m-85 -141.3 38.37 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.062 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -58.11 -12.36 3.4 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.03 -22.31 39.01 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.83 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -116.65 107.22 46.95 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.917 0.359 . . . . 0.0 111.409 -178.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.48 -28.57 10.04 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.579 2.186 . . . . 0.0 111.302 174.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 105' ' ' ALA . 14.2 mm -121.92 150.73 25.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.426 -178.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.798 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 67.5 m-85 -122.05 -169.89 1.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.164 0.507 . . . . 0.0 111.324 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -122.7 163.79 19.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.296 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.869 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 50.6 m170 -61.38 -23.56 65.87 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.85 74.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.203 0.525 . . . . 0.0 110.19 173.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.466 ' HA ' ' HB3' ' A' ' 49' ' ' GLU . 89.8 m-70 -81.69 -16.48 51.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.082 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.525 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 56.0 m -60.85 -59.18 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 171.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.556 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 23.2 ttt180 -57.98 -39.22 77.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.2 177.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 46' ' ' HIS . 41.8 tt0 -53.46 -55.27 26.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.651 176.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -68.68 -44.77 73.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.758 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 47' ' ' THR . 42.3 mm -62.73 -48.66 87.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.147 -177.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -65.53 -35.44 80.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.843 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.5 m -63.12 -35.66 81.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 110.993 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -72.02 -35.51 69.43 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.504 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 71.0 mt -68.05 -36.27 74.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.15 0.5 . . . . 0.0 110.189 176.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -69.32 -23.01 63.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.416 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -65.76 -12.24 52.35 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.507 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.504 ' HB3' ' O ' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -57.3 -46.08 83.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.984 170.819 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.466 ' HA ' ' HB3' ' A' ' 62' ' ' LEU . 5.9 t70 -68.23 -21.95 64.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.104 -177.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.6 m -65.72 -47.72 74.41 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.339 175.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.43 -33.83 63.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.073 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 59' ' ' ASP . 54.8 tp -65.43 -31.46 72.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.405 176.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.711 ' HA ' ' CE ' ' A' ' 66' ' ' LYS . 21.7 t70 -64.91 -36.69 85.17 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.444 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -62.26 -40.88 97.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.275 175.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' ' 79' ' ' GLN . 80.6 mt -67.88 -37.01 81.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.74 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.711 ' CE ' ' HA ' ' A' ' 63' ' ' ASP . 49.7 mtmt -67.35 -35.81 80.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.605 176.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -79.32 -37.59 37.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.722 -176.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -78.34 -4.7 49.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.333 0.587 . . . . 0.0 110.367 177.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.453 ' HB3' ' O ' ' A' ' 66' ' ' LYS . 60.2 ttt180 -78.08 69.61 4.32 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 172.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -75.03 -43.89 50.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.715 -174.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.1 p -87.96 176.88 7.13 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.488 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -88.34 20.77 3.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.676 0.751 . . . . 0.0 109.396 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -124.15 76.46 59.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.613 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 32.3 Cg_endo -63.47 144.15 89.83 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.89 2.393 . . . . 0.0 112.482 177.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.495 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 12.7 Cg_exo -71.25 84.47 0.91 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.497 2.131 . . . . 0.0 111.313 175.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.7 t -54.65 -43.46 72.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.961 0.41 . . . . 0.0 110.544 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -66.34 -23.48 66.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.817 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.495 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 17.3 mtm180 -98.61 -45.78 5.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 111.188 -179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.522 ' HA ' HD13 ' A' ' 65' ' ' LEU . 51.8 tt0 -69.86 -37.13 76.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.807 0.337 . . . . 0.0 110.813 -175.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.3 t -72.86 -30.07 31.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.062 0.458 . . . . 0.0 109.91 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.441 ' HA ' ' HG2' ' A' ' 84' ' ' GLN . 54.6 tp -68.6 -33.93 74.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.207 177.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -64.75 -45.98 84.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -60.61 -19.05 56.76 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.254 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.441 ' HG2' ' HA ' ' A' ' 81' ' ' LEU . 29.1 mm-40 -60.18 -35.73 76.03 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.755 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.4 mtm105 -65.16 -48.52 73.21 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.07 0.462 . . . . 0.0 110.062 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -50.05 -55.62 14.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.013 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.44 -37.96 74.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.761 -177.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.463 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 10.2 tm0? -71.29 -44.5 65.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -176.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -70.93 -25.55 62.8 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.955 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.1 -35.5 69.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.977 0.417 . . . . 0.0 109.96 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 88' ' ' GLN . 43.0 tttm -60.46 -50.12 74.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.372 174.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.83 -28.7 67.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.193 178.102 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.11 -39.65 90.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.258 0.551 . . . . 0.0 110.157 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -77.51 -35.79 53.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.104 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.42 -25.53 33.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.873 -174.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 117.71 108.78 2.47 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.596 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.439 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 49.1 t80 -95.59 145.58 25.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -176.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.442 ' HG ' ' HB3' ' A' ' 126' ' ' LEU . 21.0 tp -75.5 103.04 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.529 -178.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.804 ' HB2' HD12 ' A' ' 129' ' ' ILE . 12.7 m -128.32 150.4 74.08 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.381 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.97 150.88 49.58 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.054 1.836 . . . . 0.0 111.034 174.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -71.26 107.38 4.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.286 0.565 . . . . 0.0 109.635 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.798 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 12.0 tp -74.78 3.83 7.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.211 -172.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 62.5 m -121.79 11.0 10.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.551 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 108' ' ' MET . 13.7 t70 -92.65 103.53 15.9 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.611 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -56.25 -35.97 68.0 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -168.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.582 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 38.1 tttm -88.98 -25.63 21.92 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 119.769 -0.772 . . . . 0.0 111.156 -176.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.459 ' HB2' ' OD1' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -73.48 -33.08 64.66 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 172.731 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 104' ' ' ASP . 94.9 mmm -67.37 -26.04 66.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.83 172.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.582 ' HB3' ' O ' ' A' ' 106' ' ' LYS . 34.8 tt0 -64.03 -49.82 70.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.828 173.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -64.47 -36.83 85.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.081 0.467 . . . . 0.0 110.159 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.427 ' HB3' ' HA ' ' A' ' 108' ' ' MET . 9.0 tt -66.97 -40.71 87.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.951 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.594 ' HE ' HG12 ' A' ' 31' ' ' VAL . 27.2 ttt180 -76.62 -27.3 55.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.76 0.314 . . . . 0.0 110.978 -177.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -105.19 20.76 18.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.186 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -62.4 110.22 1.59 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.51 0.671 . . . . 0.0 110.374 -176.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -76.68 -11.19 59.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.593 -177.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 91.32 58.29 1.47 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.417 -176.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.7 t -140.25 149.73 43.22 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -176.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.559 ' HA ' HD23 ' A' ' 121' ' ' LEU . 71.4 t80 -80.06 -16.12 55.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.01 0.433 . . . . 0.0 110.077 -177.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.2 -34.62 89.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.952 177.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 120' ' ' LEU . 49.4 mt -76.68 -2.36 32.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.79 0.329 . . . . 0.0 111.349 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 118' ' ' PHE . 4.5 mm? -85.24 -6.49 59.26 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.5 -33.14 17.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.294 171.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 75.9 p -80.41 -34.63 36.05 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.251 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 73.3 mt -75.74 130.43 38.64 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.269 174.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.444 HH12 ' CG ' ' A' ' 104' ' ' ASP . 1.7 mpp_? -104.72 82.28 1.87 Allowed 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.442 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . 10.4 mp -71.53 122.24 20.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.827 177.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.515 HD12 ' HG3' ' A' ' 135' ' ' GLN . 20.6 pt -106.6 177.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.198 -177.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.488 HH21 ' CD ' ' A' ' 141' ' ' GLU . 15.1 ttm180 -96.7 119.72 35.69 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.804 HD12 ' HB2' ' A' ' 99' ' ' CYS . 51.9 mt -112.05 129.18 67.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.287 0.565 . . . . 0.0 111.229 -176.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -106.57 129.97 54.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.998 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.534 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 28.6 t70 64.23 -80.98 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.158 0.911 . . . . 0.0 112.812 171.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.556 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 10.3 mtmp? -104.86 -69.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.176 0.513 . . . . 0.0 110.963 -178.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.869 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . -157.65 32.68 0.53 Allowed Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 129' ' ' ILE . 1.5 mp0 -83.76 129.53 34.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.38 -0.41 . . . . 0.0 110.065 -177.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.515 ' HG3' HD12 ' A' ' 127' ' ' ILE . 50.8 tt0 -86.43 106.4 17.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.155 0.502 . . . . 0.0 110.654 -175.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' A' ' 128' ' ' ARG . 3.5 t -82.58 90.36 2.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.61 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.473 HG13 ' HG2' ' A' ' 135' ' ' GLN . 18.5 m -91.59 157.34 2.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.95 -177.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.44 13.13 60.36 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.607 -0.806 . . . . 0.0 111.698 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.62 -15.66 81.08 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.608 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 56.7 75.8 0.34 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.299 0.571 . . . . 0.0 110.553 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.488 ' CD ' HH21 ' A' ' 128' ' ' ARG . 42.8 mt-10 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.636 -0.697 . . . . 0.0 109.8 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.6 mtp . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.917 0.389 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.578 ' HG2' ' H ' ' A' ' 4' ' ' ASP . 61.7 ttt180 -120.45 139.6 52.61 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -79.3 -18.26 53.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.923 0.392 . . . . 0.0 110.695 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.578 ' H ' ' HG2' ' A' ' 2' ' ' ARG . 25.9 m-20 -77.63 140.17 39.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.802 178.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -105.97 153.61 21.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.238 -178.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.2 tt -126.53 154.53 36.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.349 -176.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.84 150.23 30.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.331 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.15 -27.2 63.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.021 0.439 . . . . 0.0 111.081 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -91.62 142.53 27.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.381 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.6 14.39 1.67 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.607 -177.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -64.41 -30.82 71.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.108 0.48 . . . . 0.0 110.175 175.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.3 tp -81.73 -6.15 58.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.707 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -75.18 -24.13 57.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.128 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 55.12 76.93 0.23 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.158 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -84.98 151.01 24.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.247 -173.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.871 ' HD3' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -75.82 -29.32 58.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.081 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -67.1 -27.91 67.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.043 0.449 . . . . 0.0 110.195 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -67.34 -34.96 72.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.103 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -74.93 -8.85 57.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.373 0.606 . . . . 0.0 110.059 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -95.72 -46.79 6.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.572 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.7 mt -72.47 -29.23 63.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.011 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.513 ' HA ' ' HB3' ' A' ' 25' ' ' LYS . . . -56.42 -20.09 18.02 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 176.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -65.62 -39.46 91.52 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 70.3 t -73.88 -35.91 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.835 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.513 ' HB3' ' HA ' ' A' ' 22' ' ' ALA . 51.0 tptt -56.51 -45.67 80.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.514 175.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -60.18 -44.35 95.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.491 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.475 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.9 mtt -55.49 -45.89 76.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.717 176.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -62.88 -49.0 76.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.77 0.319 . . . . 0.0 110.602 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -60.21 -45.75 92.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.393 -177.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.544 HG22 ' HB2' ' A' ' 36' ' ' PHE . 9.4 p -67.8 -28.81 42.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 120.642 0.258 . . . . 0.0 111.479 -175.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 27' ' ' MET . 74.7 t -77.59 -35.01 21.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.064 0.459 . . . . 0.0 110.754 177.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -89.63 -7.59 54.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.92 -176.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 62.4 p -105.21 164.94 11.45 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -76.63 1.79 15.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.38 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.9 m -59.14 -50.35 74.38 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.994 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.544 ' HB2' HG22 ' A' ' 30' ' ' VAL . 28.5 m-85 -136.1 27.6 3.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 178.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 33' ' ' SER . 4.0 ttpm? -64.84 -14.29 58.87 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.008 0.432 . . . . 0.0 110.818 178.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.06 13.95 60.15 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.089 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.466 ' HG3' ' HD1' ' A' ' 36' ' ' PHE . 25.3 mm-40 -116.09 125.15 28.86 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 176.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -67.7 -70.94 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.433 2.089 . . . . 0.0 111.63 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' A' ' 105' ' ' ALA . 46.0 mm -131.93 148.42 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.414 ' HB2' ' HB3' ' A' ' 102' ' ' LEU . 81.9 m-85 -94.75 -171.81 2.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.39 0.614 . . . . 0.0 111.479 -177.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.467 ' HA ' ' OG ' ' A' ' 103' ' ' SER . 2.2 p30 -135.15 -174.12 3.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.219 -177.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.475 ' O ' ' HB ' ' A' ' 47' ' ' THR . 34.0 m170 -80.63 -21.36 41.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.849 0.357 . . . . 0.0 110.678 -177.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.02 -41.11 78.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.154 0.502 . . . . 0.0 110.013 176.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -69.17 -25.6 64.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.513 175.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.475 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 97.0 m -60.18 -53.44 57.65 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 170.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 48' ' ' ARG . 9.5 ttp85 -52.72 -47.48 67.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.593 175.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -59.11 -56.49 21.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.728 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -66.58 -46.6 75.44 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.498 ' HA ' ' HD2' ' A' ' 54' ' ' PHE . 46.6 mm -61.85 -39.43 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.886 0.374 . . . . 0.0 110.395 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -62.26 -42.89 99.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.058 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.69 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 85.9 p -61.59 -37.59 84.44 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.62 -178.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.498 ' HD2' ' HA ' ' A' ' 51' ' ' ILE . 49.6 m-85 -58.2 -47.14 84.39 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.916 0.388 . . . . 0.0 110.432 176.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.406 HG23 ' HB2' ' A' ' 86' ' ' ARG . 70.7 mt -59.79 -40.18 81.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.003 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -77.52 -13.81 59.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.909 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.69 ' HG3' ' O ' ' A' ' 53' ' ' SER . 63.5 mtp180 -82.94 -9.44 59.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.802 0.334 . . . . 0.0 110.752 178.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.79 -24.42 66.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.857 0.837 . . . . 0.0 109.131 171.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.22 -13.65 62.4 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.582 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 m -67.15 -37.1 83.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.788 0.328 . . . . 0.0 110.639 176.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -81.48 -30.55 33.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.217 0.532 . . . . 0.0 109.821 175.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.767 HD12 HD12 ' A' ' 65' ' ' LEU . 31.0 tp -68.22 -26.27 65.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.69 175.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.444 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 6.8 t70 -65.81 -30.37 70.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.203 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -66.11 -27.71 68.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.37 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.835 HD22 ' HG2' ' A' ' 75' ' ' PRO . 76.5 mt -80.41 -35.65 34.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.517 175.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.444 ' HD2' ' HA ' ' A' ' 63' ' ' ASP . 99.2 mttt -63.65 -36.17 82.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.672 176.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 63.6 mttp -64.92 -22.83 67.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.631 178.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.4 mttp -89.09 12.9 14.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -178.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 69' ' ' ARG . 25.9 ttm180 -66.39 -22.99 66.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.104 0.478 . . . . 0.0 109.904 172.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.495 ' HD2' ' N ' ' A' ' 70' ' ' ARG . 2.8 mpt_? -80.83 5.06 17.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.403 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.0 m -92.49 -164.73 1.22 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.162 171.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -86.48 -27.61 23.96 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.444 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 73' ' ' ARG . 43.1 ttm180 -157.15 117.09 2.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.443 -174.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 31.1 Cg_exo -60.61 146.35 97.23 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.638 2.225 . . . . 0.0 111.506 171.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.835 ' HG2' HD22 ' A' ' 65' ' ' LEU . 23.3 Cg_exo -65.55 90.07 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 123.03 2.487 . . . . 0.0 112.848 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.0 m -59.76 -35.24 74.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.733 0.301 . . . . 0.0 111.025 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -72.92 -49.33 30.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.919 0.39 . . . . 0.0 110.514 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.571 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 37.7 mmt180 -68.99 -46.13 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.64 -176.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.545 ' HG3' HD11 ' A' ' 62' ' ' LEU . 50.0 tt0 -58.71 -47.58 84.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.336 -176.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.472 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 99.5 t -68.92 -47.1 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.661 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.29 -34.91 72.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.767 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.467 HD12 ' HD2' ' A' ' 85' ' ' ARG . 50.5 tp -71.45 -49.54 40.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.093 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 53.3 tt0 -63.19 -28.37 70.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.719 0.295 . . . . 0.0 111.251 -177.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 97.8 mt-30 -60.07 -28.4 67.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.67 0.271 . . . . 0.0 111.26 177.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.467 ' HD2' HD12 ' A' ' 82' ' ' LEU . 99.5 mtt180 -66.03 -49.16 68.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.823 -178.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 83' ' ' GLN . 8.4 ptp180 -69.93 -28.62 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.379 . . . . 0.0 110.187 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -70.55 -41.72 72.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.49 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -63.67 -42.0 98.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.895 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -55.7 -47.73 76.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.828 175.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 82.8 mt -56.13 -42.97 77.77 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.258 176.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -64.74 -46.41 82.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.358 -178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -69.13 -40.15 78.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.714 0.292 . . . . 0.0 110.567 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.877 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 37.5 t80 -64.16 -39.15 93.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.925 0.393 . . . . 0.0 110.476 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.461 ' HA ' ' N ' ' A' ' 131' ' ' ASP . 65.3 tttp -67.07 -35.59 80.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.15 -27.32 60.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.993 0.425 . . . . 0.0 110.944 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.67 84.67 0.26 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.619 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.877 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 53.2 t80 -82.03 149.13 28.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.04 98.67 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.989 0.423 . . . . 0.0 110.743 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.526 ' SG ' ' HD2' ' A' ' 97' ' ' PHE . 83.7 m -128.41 148.39 67.81 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.045 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -76.52 142.33 23.3 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.149 1.899 . . . . 0.0 111.881 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.48 109.53 5.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.03 0.443 . . . . 0.0 109.859 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.432 HD21 ' SD ' ' A' ' 27' ' ' MET . 16.8 mt -83.72 -0.56 51.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.126 -175.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.467 ' OG ' ' HA ' ' A' ' 43' ' ' ASP . 67.4 m -97.52 -1.11 44.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.061 0.458 . . . . 0.0 111.112 -178.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.404 ' OD2' ' HB2' ' A' ' 106' ' ' LYS . 18.2 t70 -100.9 116.4 32.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.114 177.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -67.12 -23.74 65.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.898 -176.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.404 ' HB2' ' OD2' ' A' ' 104' ' ' ASP . 92.4 mttt -76.14 -48.92 18.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -63.52 -39.5 94.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.807 178.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 27.0 ttm -70.3 -25.89 63.53 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.939 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -70.97 -39.49 72.49 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -62.41 -46.22 89.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.081 0.467 . . . . 0.0 110.287 172.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.57 -31.75 71.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.707 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -67.54 -34.23 76.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.13 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -106.79 20.73 18.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.489 0.662 . . . . 0.0 110.293 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -61.87 148.08 44.55 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.142 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -132.98 -177.26 4.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.866 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.49 61.31 3.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.53 175.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.0 m -132.84 113.74 13.26 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.676 -0.262 . . . . 0.0 110.488 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.584 ' HA ' HD23 ' A' ' 121' ' ' LEU . 82.5 t80 -64.18 -23.97 67.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.059 0.457 . . . . 0.0 110.446 178.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.18 -21.27 68.0 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.457 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 63.8 mt -77.08 -12.6 59.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.096 0.474 . . . . 0.0 110.744 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 118' ' ' PHE . 4.0 mm? -79.51 -6.73 57.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.541 0.686 . . . . 0.0 109.236 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -99.71 -30.56 12.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.2 175.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 44.7 p -77.12 -35.44 56.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.764 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.44 139.5 57.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.598 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 mtm-85 -84.41 77.14 10.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.843 0.83 . . . . 0.0 109.016 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 24.0 mt -83.34 121.82 27.65 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.442 -1.254 . . . . 0.0 109.614 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 35.6 pt -118.67 -177.45 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.986 -175.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 128' ' ' ARG . 43.2 mtt-85 -96.82 127.99 43.34 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.071 174.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.478 HD12 ' HB2' ' A' ' 99' ' ' CYS . 53.0 mt -115.64 124.21 71.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.266 174.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.488 HD22 HG22 ' A' ' 136' ' ' VAL . 29.1 p30 -104.12 169.65 8.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.118 0.485 . . . . 0.0 111.972 -171.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.461 ' N ' ' HA ' ' A' ' 94' ' ' LYS . 13.4 t70 50.74 -91.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.887 178.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.453 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 62.7 mttp -149.45 79.91 1.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.432 ' O ' ' HB3' ' A' ' 44' ' ' HIS . . . 76.43 38.46 33.26 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.948 177.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.423 ' HB2' ' OD1' ' A' ' 130' ' ' ASN . 54.8 mt-10 -117.55 156.82 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.619 -0.342 . . . . 0.0 110.499 176.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -84.21 133.82 34.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.183 -168.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.488 HG22 HD22 ' A' ' 130' ' ' ASN . 59.2 t -106.2 136.38 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 169.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.5 t -67.21 -42.81 88.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.204 0.526 . . . . 0.0 110.379 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 129.41 15.4 2.02 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.59 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -76.86 5.31 48.73 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.804 -177.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -92.74 -3.83 54.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.169 0.509 . . . . 0.0 109.975 177.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.587 -0.72 . . . . 0.0 109.726 178.481 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.421 ' HB2' ' H ' ' A' ' 3' ' ' GLU . 50.9 mtm180 57.82 -95.02 0.05 Allowed 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.673 0.608 . . . . 0.0 111.395 178.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.523 ' HG3' ' HE3' ' A' ' 5' ' ' LYS . 6.8 pm0 -64.46 -34.03 77.26 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 176.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.3 t70 53.2 98.71 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 114.719 -1.128 . . . . 0.0 112.773 170.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.523 ' HE3' ' HG3' ' A' ' 3' ' ' GLU . 79.4 mttt -112.63 21.37 15.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.843 -176.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.591 HD11 ' HE3' ' A' ' 9' ' ' LYS . 35.2 pt -98.6 -9.18 9.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -173.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 58.73 -155.71 0.34 Allowed 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.247 0.342 . . . . 0.0 111.192 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 72.71 -38.93 0.43 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.775 0.83 . . . . 0.0 112.592 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.591 ' HE3' HD11 ' A' ' 6' ' ' ILE . 98.3 mttt -67.25 -40.22 86.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.784 0.326 . . . . 0.0 111.145 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -75.42 134.73 40.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.183 0.516 . . . . 0.0 110.258 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -67.69 -16.37 64.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.685 -165.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.6 -34.08 77.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.784 -0.189 . . . . 0.0 110.89 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 59.96 96.38 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -78.11 -13.12 59.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.657 0.742 . . . . 0.0 109.002 172.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.47 -35.24 69.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.646 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 53.7 tptt -57.67 -33.13 68.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.026 -176.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -85.06 -2.25 57.77 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -174.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.8 t -69.7 -38.51 76.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 168.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.495 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 34.5 t60 -59.28 -19.4 45.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.854 173.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.559 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . 21.3 mt-10 -93.89 -61.0 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.539 177.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.8 mt -68.27 -30.55 69.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -170.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.88 -31.16 69.53 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.071 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.559 ' HE ' ' HA ' ' A' ' 20' ' ' GLU . 54.4 mtm180 -65.11 -52.16 57.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.456 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t -63.19 -38.45 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.166 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HG2' ' HZ3' ' A' ' 114' ' ' TRP . 5.1 tmtt? -57.91 -48.43 79.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.037 177.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -64.65 -46.17 83.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.539 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.7 mtt -55.89 -47.51 77.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.568 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -62.95 -49.34 75.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.186 0.517 . . . . 0.0 110.767 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.91 -40.62 89.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.287 -174.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.543 HG22 ' HB2' ' A' ' 36' ' ' PHE . 9.9 p -75.52 -28.66 20.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.616 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 27' ' ' MET . 98.4 t -77.72 -37.07 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.096 0.474 . . . . 0.0 110.604 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -78.75 -20.59 49.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.695 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 60.3 p -96.76 167.38 11.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.795 0.331 . . . . 0.0 110.479 177.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.44 -9.22 52.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.749 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.0 m -58.02 -40.83 81.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.317 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.543 ' HB2' HG22 ' A' ' 30' ' ' VAL . 6.2 m-85 -144.08 21.63 1.75 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 33' ' ' SER . 6.8 ttpm? -68.44 -10.01 52.47 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.098 0.475 . . . . 0.0 110.332 178.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.02 -17.88 79.31 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.863 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -116.86 96.6 49.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.527 ' O ' ' HG2' ' A' ' 108' ' ' MET . 31.8 Cg_exo -61.94 -27.79 80.22 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.602 2.201 . . . . 0.0 112.153 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.6 mm -130.1 145.69 35.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.874 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.621 ' HB2' ' HB3' ' A' ' 102' ' ' LEU . 54.7 m-85 -112.79 175.38 5.46 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 175.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -117.79 -172.78 2.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.344 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.555 ' O ' ' HB ' ' A' ' 47' ' ' THR . 37.4 m80 -80.06 -23.62 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.837 -175.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.25 -39.28 75.12 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 177.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -68.99 -21.82 64.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.892 176.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 53.6 m -60.08 -58.52 8.17 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 170.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.422 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 19.6 ttt180 -53.92 -42.48 68.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.779 176.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.37 -56.8 16.63 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.469 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.2 -42.72 68.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.453 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.5 mm -65.25 -39.86 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.23 -177.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -63.74 -41.24 98.07 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.621 0.248 . . . . 0.0 110.564 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.9 m -65.06 -32.32 73.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.877 0.37 . . . . 0.0 111.018 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -62.57 -39.71 94.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.063 0.458 . . . . 0.0 109.857 175.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.5 mt -72.69 -36.9 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.06 176.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.19 -33.21 67.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.297 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -74.24 0.85 12.87 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -62.89 -32.3 73.54 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.84 -31.41 71.66 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.152 176.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.4 m -65.36 -47.31 76.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.069 0.461 . . . . 0.0 110.334 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.542 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 43.1 mt-10 -68.6 -36.62 78.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.176 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.442 HD11 ' HG3' ' A' ' 79' ' ' GLN . 30.9 tp -58.24 -42.93 87.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.059 175.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.427 ' HA ' ' HB3' ' A' ' 66' ' ' LYS . 24.4 t70 -72.06 -19.07 61.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.794 0.33 . . . . 0.0 110.448 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.542 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 54.8 mm-40 -66.91 -41.01 87.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.343 171.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.2 mp -66.47 -40.71 89.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.804 0.811 . . . . 0.0 109.282 172.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' HB3' ' HA ' ' A' ' 63' ' ' ASP . 9.8 tttm -63.59 -37.5 87.57 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.939 -1.482 . . . . 0.0 111.356 -176.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -99.17 1.43 44.93 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -67.54 -34.45 77.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.995 0.426 . . . . 0.0 110.244 -177.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.563 ' HG3' ' HB2' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -99.57 23.48 9.43 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.158 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 67.17 -85.79 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.741 176.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.1 p -158.38 17.98 0.22 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.436 0.636 . . . . 0.0 109.62 176.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.563 ' HB2' ' HG3' ' A' ' 69' ' ' ARG . 10.1 m120 -82.03 -61.29 1.95 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.417 -175.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -133.14 118.1 15.0 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.345 -176.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.06 143.98 99.57 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.737 2.291 . . . . 0.0 111.62 174.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.63 ' HG2' ' HB2' ' A' ' 79' ' ' GLN . 12.4 Cg_endo -57.3 -22.87 51.5 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.042 2.495 . . . . 0.0 112.71 -178.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.4 p 45.61 -93.77 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.121 0.968 . . . . 0.0 113.278 175.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -65.15 -37.13 86.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 110.646 -178.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -76.15 -22.73 55.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.688 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.63 ' HB2' ' HG2' ' A' ' 75' ' ' PRO . 51.4 tt0 -71.41 -43.05 67.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.889 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.514 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 59.9 t -66.22 -37.54 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.42 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.4 tp -59.02 -33.41 70.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.583 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 62' ' ' LEU . 3.5 tm? -69.53 -46.82 65.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.889 177.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.566 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 30.5 tt0 -57.52 -35.05 69.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.15 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 97.3 mt-30 -58.9 -20.83 55.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.741 -177.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -63.06 -50.9 68.78 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 83' ' ' GLN . 18.4 ptp180 -69.42 -34.2 74.1 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.3 -175.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.92 -55.34 35.34 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.08 0.466 . . . . 0.0 110.552 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -61.66 -42.2 98.59 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.003 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.53 ' OE1' ' HA ' ' A' ' 89' ' ' GLU . 1.6 tp10 -70.19 -37.1 75.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.628 -176.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.602 ' HA ' ' HD2' ' A' ' 93' ' ' PHE . 53.3 mt -62.16 -35.46 78.87 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 175.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.41 -30.03 70.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.911 176.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 89' ' ' GLU . 34.6 tt0 -70.57 -49.38 48.53 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.849 173.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.662 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 82.3 m-85 -58.25 -41.42 84.17 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.943 0.401 . . . . 0.0 111.429 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -74.56 -8.03 55.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.728 -176.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.96 2.08 37.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.86 0.362 . . . . 0.0 111.235 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.87 81.85 1.55 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.497 -0.858 . . . . 0.0 111.392 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.662 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 34.0 t80 -75.22 130.48 39.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.609 0.243 . . . . 0.0 110.977 -174.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.3 tp -69.71 98.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.092 0.473 . . . . 0.0 110.261 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.594 ' SG ' ' HD2' ' A' ' 100' ' ' PRO . 35.9 t -128.19 144.94 53.59 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.578 -176.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.594 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 43.9 Cg_endo -71.1 134.03 24.34 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.952 1.768 . . . . 0.0 110.836 175.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -71.74 104.38 3.38 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.444 -0.502 . . . . 0.0 109.779 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.621 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 68.7 mt -64.68 -24.74 67.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.599 -177.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 p -80.88 -2.14 46.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.973 0.416 . . . . 0.0 111.408 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.512 ' HB3' ' HB3' ' A' ' 107' ' ' ASN . 14.0 t70 -95.83 123.45 39.42 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.854 176.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.47 -36.09 65.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.794 -173.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -68.55 -43.2 77.16 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.628 ' HB2' ' HB2' ' A' ' 125' ' ' ARG . 9.0 t30 -60.02 -45.34 93.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.686 175.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 40' ' ' PRO . 48.5 tpp -63.15 -35.13 79.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.671 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -67.62 -43.94 79.23 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.618 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -63.78 -35.52 80.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.925 0.393 . . . . 0.0 110.345 175.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.495 HD22 ' SD ' ' A' ' 108' ' ' MET . 8.8 tt -65.63 -45.55 82.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.361 177.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.5 ttp85 -60.9 -29.59 69.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.32 0.581 . . . . 0.0 111.083 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -106.69 21.48 17.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.579 -173.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.541 ' HZ3' ' HG2' ' A' ' 25' ' ' LYS . 61.2 t90 -69.42 143.25 53.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.688 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -130.51 -171.75 2.63 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.49 62.93 2.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.433 175.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.466 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 23.9 m -131.52 119.04 20.98 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.484 0.313 . . . . 0.0 110.246 -175.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -76.9 -33.43 57.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.079 0.466 . . . . 0.0 110.298 -177.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -70.81 -11.67 69.74 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.928 -0.654 . . . . 0.0 112.539 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 120' ' ' LEU . 2.6 tt -71.45 -22.37 61.84 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.496 HD13 HD12 ' A' ' 124' ' ' LEU . 4.2 mm? -65.64 -26.12 67.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.24 178.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -79.27 -15.0 58.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 80.4 p -99.7 1.96 43.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.451 . . . . 0.0 110.791 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.496 HD12 HD13 ' A' ' 121' ' ' LEU . 58.8 mt -98.05 149.54 22.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.693 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.628 ' HB2' ' HB2' ' A' ' 107' ' ' ASN . 64.2 mtt180 -85.64 74.68 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.63 0.729 . . . . 0.0 110.036 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.4 mt -88.99 125.3 34.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.161 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.464 HG13 HG13 ' A' ' 129' ' ' ILE . 32.8 pt -124.09 177.23 4.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.206 -179.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 -96.91 116.66 29.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.25 0.548 . . . . 0.0 109.863 176.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.525 HG22 ' O ' ' A' ' 130' ' ' ASN . 60.8 mt -122.07 134.07 66.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.427 -175.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.865 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 27.4 t-20 -71.9 152.97 42.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 172.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -47.85 -21.4 0.41 Allowed 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -173.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.472 ' HB2' ' HG3' ' A' ' 134' ' ' GLU . 31.8 mttp -95.4 5.29 52.03 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.112 -0.368 . . . . 0.0 111.871 -178.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 86.71 31.43 18.35 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.23 -175.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.865 ' HB2' ' HB3' ' A' ' 130' ' ' ASN . 50.6 mt-10 -96.92 143.79 27.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.614 0.245 . . . . 0.0 110.382 -176.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -77.14 120.45 22.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.449 -174.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.2 t -116.65 116.83 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.51 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 47.2 t -84.51 -73.52 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.741 0.305 . . . . 0.0 111.053 -177.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -172.46 78.77 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.124 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -141.53 29.38 2.26 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.686 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -123.53 -33.97 3.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.973 0.416 . . . . 0.0 110.937 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.301 -178.162 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.654 0.264 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -116.19 -27.25 6.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.364 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.514 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 1.2 mp0 -63.35 -47.06 83.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.908 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -90.3 125.11 35.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.085 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.747 ' HE2' ' HB3' ' A' ' 7' ' ' ALA . 84.1 tttt -97.05 145.98 25.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.866 0.365 . . . . 0.0 111.245 -170.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.0 mt -83.11 -36.18 12.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.563 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.747 ' HB3' ' HE2' ' A' ' 5' ' ' LYS . . . -72.33 127.48 32.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.436 177.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.58 162.7 28.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.788 -175.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -129.86 135.35 48.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.24 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -57.21 -43.31 82.67 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -84.9 105.52 15.74 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.5 mt -75.84 164.38 26.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.147 -173.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -99.46 3.75 45.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.188 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -134.34 96.46 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.413 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -162.96 133.27 4.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.647 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HB3' ' CD1' ' A' ' 118' ' ' PHE . 9.9 mptt 62.49 24.42 14.53 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.659 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HB2' ' OE2' ' A' ' 20' ' ' GLU . 25.2 mtp180 -96.03 160.42 14.46 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.6 t -61.96 -28.42 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.709 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.428 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 7.8 t-160 -60.67 -31.46 70.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.64 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.503 ' HG3' ' CZ ' ' A' ' 97' ' ' PHE . 2.3 mp0 -91.88 -52.31 4.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.627 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 mt -65.84 -26.59 67.73 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -169.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -25.15 65.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 111.051 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.666 HH12 ' HE2' ' A' ' 93' ' ' PHE . 4.5 ptm85 -72.64 -35.74 67.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.189 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.3 t -71.9 -40.63 68.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.81 -45.77 82.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.412 175.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.451 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 90.0 t80 -63.25 -54.03 43.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.649 178.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.562 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.8 mtt -54.68 -42.61 71.61 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -59.99 -55.17 37.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.213 -179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.6 -36.26 83.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.028 -175.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 26' ' ' PHE . 54.8 t -62.97 -42.95 98.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.393 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 27' ' ' MET . 80.2 t -66.67 -34.68 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.233 0.539 . . . . 0.0 110.601 178.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -86.96 -9.23 56.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.906 -174.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.484 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 33.0 p -107.99 156.38 19.3 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 177.088 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -67.85 -3.63 10.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.51 -175.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.2 m -54.5 -46.71 73.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.069 177.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -140.75 20.27 2.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.77 0.319 . . . . 0.0 110.894 176.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 33' ' ' SER . 59.7 tttm -60.92 -22.68 64.61 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.062 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.13 -13.56 64.76 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.211 -0.518 . . . . 0.0 112.531 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -94.62 118.15 66.9 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.464 ' O ' HD13 ' A' ' 41' ' ' ILE . 32.2 Cg_exo -58.65 -63.7 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.138 1.892 . . . . 0.0 111.217 178.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 105' ' ' ALA . 29.6 mm -128.72 145.26 35.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 175.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.824 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 39.0 m-85 -82.38 -168.02 1.82 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.963 0.411 . . . . 0.0 111.144 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.892 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 18.6 t70 -146.67 170.3 17.24 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -179.059 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.519 ' O ' ' HB ' ' A' ' 47' ' ' THR . 12.6 m170 -61.71 -22.91 65.76 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.581 0.229 . . . . 0.0 111.309 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.29 73.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.846 0.355 . . . . 0.0 110.579 174.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.21 -24.65 60.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.581 ' O ' HG13 ' A' ' 51' ' ' ILE . 97.8 m -57.82 -57.16 14.0 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 169.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.617 HH11 ' HB3' ' A' ' 132' ' ' LYS . 34.6 ttp180 -50.85 -44.71 59.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.044 176.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -57.36 -47.99 80.2 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.228 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.451 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 11.1 m-30 -72.67 -36.56 67.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.655 -178.13 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.589 HG12 ' NH2' ' A' ' 23' ' ' ARG . 54.1 mt -66.62 -44.03 90.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.055 178.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -43.93 92.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.307 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 p -72.33 -34.74 68.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -65.27 -17.56 64.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.36 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 51' ' ' ILE . 63.5 mt -95.18 -26.14 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.184 0.516 . . . . 0.0 110.378 172.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -84.16 -6.07 59.34 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.157 -171.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.519 ' H ' ' HG3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -46.26 -43.36 15.54 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.899 0.381 . . . . 0.0 111.518 177.189 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.36 -6.36 39.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -175.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.28 -32.66 73.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 170.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.9 m -67.36 -36.77 82.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.113 174.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -66.08 -47.23 74.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.221 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.659 ' HG ' ' HE3' ' A' ' 66' ' ' LYS . 30.3 tp -62.24 -34.72 77.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.509 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.418 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 22.2 t70 -60.82 -39.78 90.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.725 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -66.94 -37.93 85.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.912 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.5 mt -65.26 -36.63 84.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.048 0.451 . . . . 0.0 110.51 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.659 ' HE3' ' HG ' ' A' ' 62' ' ' LEU . 95.5 mttt -65.23 -14.04 59.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.204 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 88.4 mttt -96.21 -0.9 49.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HB2' ' HD3' ' A' ' 75' ' ' PRO . 66.8 mttm -76.15 -16.54 59.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.757 0.313 . . . . 0.0 110.843 179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 66' ' ' LYS . 16.4 ptt85 -71.16 0.54 7.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.078 177.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -76.68 -9.5 58.71 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.325 0.584 . . . . 0.0 109.773 173.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.7 p -106.96 -176.92 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 169.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -81.77 -20.37 39.39 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.98 -176.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -108.05 109.45 61.97 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-O 120.857 0.361 . . . . 0.0 111.819 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -79.1 152.07 24.08 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.053 2.502 . . . . 0.0 111.123 172.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.524 ' HD3' ' HB2' ' A' ' 68' ' ' LYS . 71.9 Cg_endo -77.27 55.11 4.95 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.779 2.319 . . . . 0.0 112.439 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.2 t -47.94 -46.86 32.63 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.933 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -82.58 -51.57 7.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.893 0.377 . . . . 0.0 111.291 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.23 -27.27 68.55 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -172.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -62.49 -36.93 84.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.222 0.534 . . . . 0.0 110.301 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.2 t -69.99 -37.82 73.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.402 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.0 mt -65.13 -35.37 80.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.637 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.99 -46.65 89.88 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.67 -40.03 93.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.254 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -59.43 -32.95 70.67 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.526 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -63.17 -53.68 49.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.535 177.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -66.92 -33.79 76.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.971 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.23 -48.11 81.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.779 177.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -64.48 -49.97 69.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.856 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.57 ' O ' ' HD1' ' A' ' 93' ' ' PHE . 48.3 mt-10 -61.02 -38.83 87.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.16 -40.57 74.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.461 177.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -69.59 -35.02 74.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.662 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -68.46 -44.36 75.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.654 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.76 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 56.8 m-85 -66.48 -32.99 74.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.029 0.442 . . . . 0.0 110.676 177.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -68.95 -31.23 69.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.989 178.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.59 -3.48 34.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.669 -177.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.15 79.58 1.3 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.55 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.76 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 32.3 t80 -82.42 150.15 27.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 -177.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.7 tp -68.92 97.3 0.83 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.089 0.471 . . . . 0.0 110.138 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.432 ' HB3' HD12 ' A' ' 129' ' ' ILE . 36.2 t -128.53 141.95 43.2 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.056 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 99' ' ' CYS . 21.7 Cg_exo -64.71 149.57 89.53 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.329 2.019 . . . . 0.0 111.508 174.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -57.29 -37.15 71.97 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.202 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.824 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 13.5 tp 74.44 -28.44 0.19 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.062 173.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.892 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 5.5 p -96.09 -0.51 50.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.912 0.386 . . . . 0.0 111.421 178.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -88.79 122.8 32.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 174.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.515 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -71.81 -28.04 63.33 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -172.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -78.04 -39.29 42.43 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -60.8 -45.78 93.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.483 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -37.73 80.78 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.858 178.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.45 -51.57 62.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.477 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -64.73 -33.04 75.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.015 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.5 tt -61.6 -40.32 94.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.564 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -64.47 -34.49 78.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.289 0.566 . . . . 0.0 110.627 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -96.86 20.96 10.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.643 -173.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.648 ' HA ' HD13 ' A' ' 120' ' ' LEU . 29.9 t90 -72.55 91.38 1.41 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 174.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -66.49 -58.06 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.488 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.31 55.59 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.146 -1.025 . . . . 0.0 112.958 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.687 ' OG1' ' HB2' ' A' ' 120' ' ' LEU . 43.5 p -120.68 160.18 23.82 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.509 ' HA ' HD23 ' A' ' 121' ' ' LEU . 96.5 m-85 -88.05 -20.77 25.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.132 0.492 . . . . 0.0 109.931 173.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -76.53 -25.09 66.2 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.565 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.687 ' HB2' ' OG1' ' A' ' 117' ' ' THR . 1.7 tt -62.44 -25.67 68.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.338 0.59 . . . . 0.0 109.846 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.629 HD12 HD11 ' A' ' 126' ' ' LEU . 3.4 mm? -66.85 -16.2 64.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.899 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -84.03 -28.89 27.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.041 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 56.4 p -83.3 -20.06 35.11 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.248 0.546 . . . . 0.0 110.273 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.503 HD12 HD13 ' A' ' 121' ' ' LEU . 80.6 mt -79.64 136.2 36.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.667 174.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 52.5 ttt-85 -79.76 74.1 6.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.474 0.654 . . . . 0.0 109.262 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.629 HD11 HD12 ' A' ' 121' ' ' LEU . 86.8 mt -87.81 123.79 32.95 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.815 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.553 HD12 ' HG3' ' A' ' 135' ' ' GLN . 11.8 pt -119.62 -177.35 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.49 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.453 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 44.4 mtt180 -103.94 139.03 39.66 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.432 HD12 ' HB3' ' A' ' 99' ' ' CYS . 44.8 mt -134.1 128.21 52.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.309 -174.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -89.25 105.52 17.85 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.948 176.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.582 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 35.8 t70 51.99 -83.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 166.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.617 ' HB3' HH11 ' A' ' 48' ' ' ARG . 55.9 mttp -85.78 37.57 0.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -171.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.431 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 68.94 32.72 73.69 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.433 178.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -94.85 118.81 32.39 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -178.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.553 ' HG3' HD12 ' A' ' 127' ' ' ILE . 53.3 tt0 -73.97 141.75 45.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.439 0.638 . . . . 0.0 112.08 -168.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.453 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 8.6 t -119.6 106.2 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.172 175.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 16.1 m -76.31 -41.84 36.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.159 0.504 . . . . 0.0 110.774 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 163.8 -29.34 0.24 Allowed Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.255 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 93.04 4.37 64.9 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.098 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -102.28 106.55 17.37 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.817 -178.1 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.809 ' HB2' ' HB3' ' A' ' 4' ' ' ASP . 73.7 mtm . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.431 ' HB2' ' OE1' ' A' ' 3' ' ' GLU . 24.1 mmt180 -65.51 -65.45 0.67 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.18 0.514 . . . . 0.0 110.272 -176.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.431 ' OE1' ' HB2' ' A' ' 2' ' ' ARG . 4.0 mp0 -80.72 -25.26 38.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.252 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.809 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 27.3 t70 -88.01 92.51 9.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.07 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -108.23 152.46 24.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.584 -177.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.562 ' HA ' ' HD2' ' A' ' 9' ' ' LYS . 59.9 mt -67.96 -24.38 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.976 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.48 97.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.236 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.93 -12.11 61.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.562 ' HD2' ' HA ' ' A' ' 6' ' ' ILE . 95.0 mttt -86.22 -5.33 59.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.3 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.9 mttt 63.61 15.72 9.12 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 164.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -84.57 14.14 4.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.976 0.417 . . . . 0.0 111.045 176.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.7 mt -84.83 -17.01 39.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.085 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -112.14 126.3 55.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.473 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -93.46 122.51 35.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.74 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -87.19 -3.9 59.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.572 -174.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -97.92 126.84 43.51 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -87.24 136.4 32.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.934 0.397 . . . . 0.0 110.606 -177.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.56 -33.53 60.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.709 -176.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.421 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -74.49 -7.66 53.76 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.339 -179.214 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -83.86 -44.31 14.44 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 168.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.98 -42.84 94.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.941 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.7 -30.13 63.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.784 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 19' ' ' HIS . 62.3 mtt85 -66.03 -36.21 82.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.769 0.319 . . . . 0.0 110.395 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.9 t -69.92 -41.81 79.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.107 175.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 59.2 tttm -67.71 -31.8 72.0 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -62.75 -43.23 99.33 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.526 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.7 mtt -61.72 -45.47 93.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.76 174.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -54.6 -56.96 13.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.928 176.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.71 -45.7 85.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.689 -178.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 27' ' ' MET . 5.3 p -68.47 -28.64 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.432 -176.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 27' ' ' MET . 75.9 t -77.96 -36.92 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.204 0.526 . . . . 0.0 110.376 176.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -81.79 -17.5 47.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.937 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.534 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 30.2 t -93.8 155.54 17.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.792 177.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.34 -5.43 7.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.756 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.3 m -56.8 -50.97 70.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.719 0.295 . . . . 0.0 110.841 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -135.7 24.28 3.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.283 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 33' ' ' SER . 37.0 ttpt -70.02 -1.93 11.23 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.047 0.451 . . . . 0.0 111.139 178.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.41 -56.17 16.87 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.498 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -116.56 108.8 44.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 177.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.78 -18.37 41.84 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.864 2.376 . . . . 0.0 112.764 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 105' ' ' ALA . 17.2 mm -114.51 139.89 38.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.671 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 94.1 m-85 -119.7 -162.47 0.92 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.599 0.238 . . . . 0.0 110.778 -178.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -132.34 -175.84 3.88 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.617 ' O ' ' HB ' ' A' ' 47' ' ' THR . 32.2 m170 -76.93 -20.24 56.41 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -173.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.13 -40.85 62.37 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.002 0.429 . . . . 0.0 109.879 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.464 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 36.5 m80 -66.76 -25.15 66.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.103 174.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.617 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 75.2 m -56.68 -61.88 2.12 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.094 170.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.574 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 36.0 ttp85 -53.1 -47.04 68.91 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.407 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 27.7 mt-10 -54.33 -51.6 64.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.779 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.31 -35.65 71.34 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 47' ' ' THR . 67.2 mt -59.16 -51.5 71.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.956 0.407 . . . . 0.0 110.06 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -63.02 -38.24 90.38 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.384 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.7 m -57.78 -42.18 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.733 0.301 . . . . 0.0 111.214 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -72.06 -41.79 67.01 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.384 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.511 HG21 HD21 ' A' ' 90' ' ' LEU . 62.5 mt -67.24 -31.3 52.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.161 0.505 . . . . 0.0 110.4 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -65.06 -39.67 93.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.404 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -74.22 -3.15 28.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.557 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -66.11 -24.76 66.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.777 0.799 . . . . 0.0 109.237 174.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.09 -22.32 66.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.069 177.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.9 m -66.34 -38.67 88.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.787 0.327 . . . . 0.0 111.169 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.82 -39.42 64.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.498 0.666 . . . . 0.0 109.451 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 53.5 tp -62.6 -32.13 73.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.321 176.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.545 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 4.1 t70 -67.59 -27.51 66.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.639 -179.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -71.05 -35.69 72.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.167 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.46 -25.59 61.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.309 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.545 ' CD ' ' HA ' ' A' ' 63' ' ' ASP . 82.4 mttt -64.75 -41.77 95.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.547 176.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 55.8 mttp -71.43 -24.23 61.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.47 -174.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -80.04 8.4 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.113 0.482 . . . . 0.0 111.053 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.806 ' HA ' ' HB3' ' A' ' 74' ' ' PRO . 63.5 ttt180 -82.09 -4.18 56.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.225 177.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -82.16 34.72 0.42 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.673 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.8 p -133.23 179.48 6.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.053 -177.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.502 ' OD1' ' HG2' ' A' ' 73' ' ' ARG . 33.2 p30 -83.94 -7.82 59.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.168 0.509 . . . . 0.0 109.92 178.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.502 ' HG2' ' OD1' ' A' ' 72' ' ' ASN . 31.8 ptt180 -150.07 86.28 5.29 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.504 178.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.806 ' HB3' ' HA ' ' A' ' 69' ' ' ARG . 33.0 Cg_endo -64.27 161.54 33.82 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.492 2.128 . . . . 0.0 111.595 176.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.61 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 32.9 Cg_endo -70.15 57.89 1.69 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.697 2.264 . . . . 0.0 113.02 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.0 p -50.48 -49.54 55.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.917 0.389 . . . . 0.0 110.724 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -60.48 -40.59 91.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.328 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.61 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 43.1 mtt-85 -80.91 -36.25 31.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.218 -172.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.05 -39.95 94.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.439 0.637 . . . . 0.0 109.418 175.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.456 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 70.4 t -72.33 -42.87 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.267 178.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.4 tp -56.99 -37.24 71.37 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.398 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.19 -52.49 65.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.671 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -67.88 -30.72 70.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.906 -178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 86.3 mt-30 -60.27 -50.81 72.17 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.89 -0.141 . . . . 0.0 111.248 178.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.2 ptt85 -71.03 -34.85 71.69 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.516 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -60.59 -42.62 97.08 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.982 0.42 . . . . 0.0 109.996 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.13 -37.93 89.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.354 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -63.57 -48.57 76.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.673 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -63.09 -37.98 89.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 55' ' ' ILE . 91.2 mt -68.81 -35.46 77.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.896 175.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -59.71 -49.58 77.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -62.85 -37.24 86.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.624 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.954 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 73.1 t80 -60.69 -47.25 87.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 176.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -69.61 -21.0 63.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -97.83 11.16 38.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.576 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.36 87.78 1.34 Allowed Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.954 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 27.9 t80 -74.51 152.03 39.43 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -176.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.46 ' HG ' ' HB3' ' A' ' 126' ' ' LEU . 23.8 tp -76.38 94.56 3.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.99 0.424 . . . . 0.0 110.137 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.801 ' HB2' HD12 ' A' ' 129' ' ' ILE . 83.4 m -128.12 157.03 75.42 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.663 -178.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -70.57 146.19 54.52 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.445 2.096 . . . . 0.0 111.467 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.25 -36.68 68.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.18 177.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.671 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 18.7 tp 75.41 -16.31 0.59 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.497 0.719 . . . . 0.0 112.537 172.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.1 p -108.15 0.71 21.73 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.127 -0.358 . . . . 0.0 111.531 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.659 ' O ' ' HG2' ' A' ' 108' ' ' MET . 11.9 t70 -96.89 124.31 40.83 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.48 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -67.72 -33.43 74.88 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -173.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.536 ' HA ' ' HG3' ' A' ' 109' ' ' GLU . 44.0 tttp -75.44 -36.53 60.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.424 0.631 . . . . 0.0 109.969 -178.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -57.84 -38.59 75.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.232 171.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.659 ' HG2' ' O ' ' A' ' 104' ' ' ASP . 90.9 mmm -73.96 -21.03 60.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.12 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.536 ' HG3' ' HA ' ' A' ' 106' ' ' LYS . 40.0 mt-10 -61.27 -54.64 41.45 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 173.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.444 ' HB2' HD23 ' A' ' 124' ' ' LEU . 42.6 m-85 -64.13 -34.87 79.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.267 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.47 -45.54 79.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.765 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.7 ttt85 -71.59 -31.48 66.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.503 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -102.7 21.67 15.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.185 -176.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.481 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 12.9 t90 -72.26 111.33 7.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.25 0.548 . . . . 0.0 110.187 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -96.48 23.4 6.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.107 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 77.52 36.31 34.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.069 -175.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.561 ' HB ' ' HG ' ' A' ' 120' ' ' LEU . 5.2 m -96.24 114.44 26.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.277 -0.462 . . . . 0.0 110.228 -177.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.509 ' HA ' HD23 ' A' ' 121' ' ' LEU . 86.0 m-85 -63.61 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.868 -178.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.23 -18.41 69.25 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.796 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.561 ' HG ' ' HB ' ' A' ' 117' ' ' THR . 50.5 mt -78.73 -9.85 59.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.682 0.277 . . . . 0.0 111.167 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 118' ' ' PHE . 3.9 mm? -78.86 3.6 16.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.942 0.401 . . . . 0.0 110.854 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -119.99 -13.89 8.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.395 174.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 41.4 p -91.24 -32.81 15.62 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.194 177.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 110' ' ' PHE . 19.5 mt -59.38 141.26 54.99 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.474 174.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -79.15 76.81 5.66 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.924 0.869 . . . . 0.0 109.43 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.46 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . 54.9 mt -94.89 111.53 23.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.278 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 24.6 pt -106.46 -173.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.186 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.583 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 25.9 mmm-85 -96.58 111.94 23.88 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 176.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.801 HD12 ' HB2' ' A' ' 99' ' ' CYS . 34.7 mt -110.6 119.87 60.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.32 0.581 . . . . 0.0 111.832 -175.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -100.39 117.56 34.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.604 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 93' ' ' PHE . 2.7 m-20 56.14 -89.7 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 172.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.574 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 50.2 pttt -98.91 33.5 2.32 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -167.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.544 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 86.54 18.72 58.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.015 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -80.89 133.64 35.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.741 0.305 . . . . 0.0 110.461 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -81.42 113.83 19.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.105 0.479 . . . . 0.0 110.85 -177.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.583 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 21.4 t -83.93 99.63 6.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.434 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.9 m -82.03 161.4 3.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.013 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.29 -27.47 69.29 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.756 -177.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -76.19 -9.74 85.52 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.304 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 54.51 78.86 0.15 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.477 0.656 . . . . 0.0 111.002 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.458 -0.782 . . . . 0.0 110.455 -177.303 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtm . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.743 0.306 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -107.19 -24.11 12.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.322 175.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -56.81 -41.17 77.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.517 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.26 97.84 8.48 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 170.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -73.2 136.95 44.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.65 -172.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.4 mt -92.94 132.92 35.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.754 176.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.45 -35.24 63.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.944 0.402 . . . . 0.0 110.856 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.54 122.77 22.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.214 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.422 ' HB2' HD23 ' A' ' 12' ' ' LEU . 72.8 mmtt -99.21 141.54 31.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.011 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -80.78 -1.52 43.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.281 0.562 . . . . 0.0 110.486 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 34.3 mmtm -138.97 92.94 2.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.357 171.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.422 HD23 ' HB2' ' A' ' 9' ' ' LYS . 96.6 mt -84.09 177.52 8.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.61 -178.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -80.11 87.27 5.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.209 0.528 . . . . 0.0 110.374 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -92.76 110.47 21.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.22 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.511 ' OD2' ' HG3' ' A' ' 17' ' ' ARG . 4.9 p-10 -137.9 -148.99 0.29 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.75 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 16' ' ' LYS . 40.8 mtmt -56.13 -27.63 54.81 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.415 0.686 . . . . 0.0 112.261 -173.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.511 ' HG3' ' OD2' ' A' ' 15' ' ' ASP . 17.6 mtt180 -51.57 -29.09 15.94 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.616 0.573 . . . . 0.0 112.23 -174.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.554 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 60.1 t -68.84 -30.85 48.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.136 0.493 . . . . 0.0 111.115 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -92.07 3.93 54.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.931 0.396 . . . . 0.0 110.357 176.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -110.5 -70.35 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.773 0.32 . . . . 0.0 111.184 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.449 ' HG ' HD11 ' A' ' 121' ' ' LEU . 7.0 mp -77.26 -33.73 55.86 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -172.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -63.9 -19.27 64.97 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.449 HH22 ' CD ' ' A' ' 89' ' ' GLU . 42.2 mtt-85 -66.84 -41.21 87.76 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.05 0.453 . . . . 0.0 109.804 177.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.9 t -68.24 -36.87 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.835 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -63.95 -43.16 96.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.238 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.437 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 84.1 t80 -59.37 -46.31 89.01 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.455 177.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.563 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.0 mtt -54.82 -52.52 62.45 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 175.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -55.55 -47.07 76.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.24 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.13 -51.63 68.89 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 178.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 26' ' ' PHE . 95.3 t -59.86 -44.76 94.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -178.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 27' ' ' MET . 63.8 t -63.9 -36.95 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.208 0.527 . . . . 0.0 111.146 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -99.18 6.15 46.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.642 -175.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.53 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 47.1 t -110.9 150.54 29.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 175.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -69.65 -3.38 14.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.074 0.464 . . . . 0.0 110.474 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.1 m -47.92 -51.42 23.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.547 173.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -142.52 28.8 1.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.521 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 33' ' ' SER . 49.1 tttm -62.6 -14.26 40.83 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.513 -176.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.73 -23.2 73.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.914 174.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -116.27 100.99 53.91 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -62.8 -30.54 77.92 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.748 2.299 . . . . 0.0 112.727 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.562 HD11 ' HA ' ' A' ' 105' ' ' ALA . 59.0 mt -136.67 138.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.865 0.364 . . . . 0.0 110.473 -178.284 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -105.65 153.17 22.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.498 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.7 -178.55 7.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.099 0.476 . . . . 0.0 111.036 -176.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.697 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 31.5 m170 -71.83 -25.82 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.806 -175.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.83 78.36 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 175.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -71.36 -21.81 61.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.68 175.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.641 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 37.8 m -56.98 -57.96 10.26 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 168.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.554 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 3.3 ttp180 -51.64 -45.59 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.619 175.393 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -59.47 -50.57 73.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.369 -177.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.437 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 9.3 m-85 -73.15 -37.48 66.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.605 -178.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.06 -46.44 94.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.983 0.42 . . . . 0.0 109.948 176.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -64.44 -39.86 94.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.916 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -66.31 -33.81 76.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' A' ' 57' ' ' ARG . 53.0 t80 -66.32 -38.28 87.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.92 0.391 . . . . 0.0 110.043 177.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.2 mt -70.52 -29.97 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.653 0.739 . . . . 0.0 109.808 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -73.65 -16.02 61.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.547 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 19.1 ttm180 -61.8 -33.8 74.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.35 173.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.58 -22.25 66.79 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.391 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.26 -24.64 67.96 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.455 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.2 m -62.15 -44.4 96.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.076 0.465 . . . . 0.0 110.767 -178.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.52 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 53.6 mt-10 -69.53 -32.27 70.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.214 178.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.2 tp -67.99 -39.44 83.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.712 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.555 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 32.1 t70 -66.95 -36.91 83.27 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 5.4 mm-40 -59.88 -38.9 83.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 174.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.619 ' HB3' ' HG2' ' A' ' 75' ' ' PRO . 95.6 mt -62.63 -44.77 95.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.144 0.497 . . . . 0.0 110.097 175.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 63' ' ' ASP . 53.4 mttm -62.37 -31.37 72.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.009 177.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -80.42 -36.46 33.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.239 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 64' ' ' GLU . 66.0 mttm -69.58 -19.45 63.67 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.485 0.659 . . . . 0.0 110.187 176.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.53 ' HB3' ' O ' ' A' ' 66' ' ' LYS . 22.2 ttp180 -58.48 -32.24 68.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.787 175.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -63.59 -34.62 78.22 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.011 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.417 ' O ' ' HB2' ' A' ' 72' ' ' ASN . 3.1 p -84.32 23.86 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.321 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.446 ' O ' ' HD2' ' A' ' 73' ' ' ARG . 92.4 m-20 75.69 15.64 2.59 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.436 172.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' A' ' 72' ' ' ASN . 7.1 mmm180 -120.91 83.49 37.19 Favored Pre-proline 0 C--N 1.326 -0.448 0 C-N-CA 120.414 -0.515 . . . . 0.0 111.026 177.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.44 115.56 3.44 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.596 2.197 . . . . 0.0 111.152 174.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.619 ' HG2' ' HB3' ' A' ' 65' ' ' LEU . 5.8 Cg_exo -75.29 60.11 5.56 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 123.089 2.526 . . . . 0.0 112.07 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.3 p -46.84 -54.05 10.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.119 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -73.46 -41.76 62.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.051 0.453 . . . . 0.0 111.202 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 78' ' ' ARG . 0.8 OUTLIER -69.39 -27.1 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.656 -172.208 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -70.2 -24.35 63.1 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.98 0.419 . . . . 0.0 109.973 174.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.7 t -71.5 -40.05 71.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.786 176.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.64 -34.86 78.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.229 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.624 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.6 OUTLIER -63.54 -44.77 93.25 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 174.576 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -55.97 -47.47 77.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.768 176.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -56.91 -41.51 78.28 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.316 0.385 . . . . 0.0 111.234 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.624 ' HD3' ' HA ' ' A' ' 82' ' ' LEU . 39.2 mtp180 -53.59 -54.06 42.9 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.622 178.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -70.98 -38.39 72.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.248 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -59.25 -43.88 92.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.912 -176.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -68.25 -41.42 81.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.567 177.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 25.6 mm-40 -50.51 -57.47 8.03 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.243 0.544 . . . . 0.0 111.339 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.38 -39.24 93.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.155 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -70.09 -42.79 72.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.929 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.71 -38.11 86.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.026 -178.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.798 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 38.8 t80 -71.24 -36.62 71.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.98 -179.06 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.431 ' HA ' ' OD1' ' A' ' 130' ' ' ASN . 22.2 mttp -76.8 -5.48 48.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 111.526 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.62 8.47 35.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.143 0.497 . . . . 0.0 110.196 175.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.41 82.63 1.38 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.66 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.798 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 65.7 t80 -84.83 145.47 27.82 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.422 ' HG ' HD23 ' A' ' 126' ' ' LEU . 28.9 tp -70.03 101.5 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.503 -178.56 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.758 ' HB2' HD12 ' A' ' 129' ' ' ILE . 34.4 m -128.26 147.03 61.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.088 -178.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -70.15 137.09 33.53 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 121.967 1.778 . . . . 0.0 111.375 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -66.32 102.19 0.83 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.089 0.471 . . . . 0.0 110.958 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.418 HD21 ' SD ' ' A' ' 27' ' ' MET . 80.0 mt -79.87 90.41 5.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.727 175.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.3 t -178.13 -47.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.253 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -69.19 133.82 48.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.637 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.562 ' HA ' HD11 ' A' ' 41' ' ' ILE . . . -74.17 -39.05 63.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.108 -175.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -66.62 -37.53 85.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -63.62 -40.65 97.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.122 176.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.536 ' SD ' HG21 ' A' ' 31' ' ' VAL . 42.7 tpp -67.87 -44.15 77.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.376 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 112' ' ' ARG . 42.3 tt0 -67.51 -35.34 78.93 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.278 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -33.53 72.05 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 176.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.418 HD22 ' SD ' ' A' ' 108' ' ' MET . 5.1 tt -64.47 -32.84 74.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.982 174.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.457 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 36.0 ttt180 -66.82 -33.98 76.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.579 174.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -88.83 8.68 27.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.479 ' HD1' HD22 ' A' ' 120' ' ' LEU . 66.0 t90 -71.0 131.77 44.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.102 0.477 . . . . 0.0 111.335 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -112.8 -178.09 3.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.404 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.54 64.66 2.52 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.66 175.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.5 m -135.66 123.02 21.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.598 0.237 . . . . 0.0 110.622 -177.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -64.4 -33.44 75.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.349 -178.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.44 -22.52 69.57 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.092 -0.575 . . . . 0.0 113.04 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.479 HD22 ' HD1' ' A' ' 114' ' ' TRP . 1.2 tt -74.53 -14.04 60.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.567 0.699 . . . . 0.0 109.905 -178.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.449 HD11 ' HG ' ' A' ' 21' ' ' LEU . 96.7 mt -78.68 -7.57 57.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.332 178.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -98.27 -21.22 16.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.928 176.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 68.6 p -87.4 -29.04 21.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.982 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.5 mt -73.66 155.88 38.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.587 172.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -87.36 81.28 7.92 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.976 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.422 HD23 ' HG ' ' A' ' 98' ' ' LEU . 9.3 mp -94.76 122.9 37.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.147 175.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 22.0 pt -123.21 179.05 2.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.354 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -96.63 113.5 25.07 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.346 0.593 . . . . 0.0 109.858 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.758 HD12 ' HB2' ' A' ' 99' ' ' CYS . 54.4 mt -111.22 135.95 48.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.242 -172.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.431 ' OD1' ' HA ' ' A' ' 94' ' ' LYS . 44.0 t30 -118.36 125.44 50.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.972 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 55.48 -102.28 0.15 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.088 -0.96 . . . . 0.0 113.401 176.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.554 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 25.8 pttm -86.12 40.18 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -167.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.697 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 72.1 29.31 66.91 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.067 -1.063 . . . . 0.0 111.64 -179.268 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -86.02 125.44 33.42 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -74.49 120.76 20.49 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 23.7 t -82.83 97.28 4.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.748 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.2 m -63.25 130.33 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.114 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.65 -78.4 1.95 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.62 -175.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.36 -1.73 69.72 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 121.31 -0.471 . . . . 0.0 112.488 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -171.92 173.22 4.52 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.211 -0.9 . . . . 0.0 109.36 174.821 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.1 mtp . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 2' ' ' ARG . 35.7 mtm105 -139.53 -26.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.952 0.406 . . . . 0.0 110.84 178.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -94.67 139.64 30.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.709 -173.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -89.55 12.0 17.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.033 -176.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -79.04 95.9 5.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.311 0.577 . . . . 0.0 111.334 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.632 HG12 ' H ' ' A' ' 8' ' ' ALA . 14.5 tt -94.04 143.85 10.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.045 177.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.88 -22.98 25.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.841 0.353 . . . . 0.0 111.241 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.632 ' H ' HG12 ' A' ' 6' ' ' ILE . . . -78.28 146.83 34.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.406 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -88.21 163.55 16.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.472 -177.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -105.86 171.58 7.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.938 0.399 . . . . 0.0 110.944 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -90.2 0.45 57.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.174 -170.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.3 tp -114.73 122.74 47.34 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -102.33 141.2 35.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.797 0.332 . . . . 0.0 110.364 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -129.74 166.41 19.91 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.548 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 57.42 47.73 15.93 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.674 0.609 . . . . 0.0 111.1 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -118.03 113.13 21.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.794 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -98.66 121.62 40.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.309 -0.405 . . . . 0.0 112.006 -174.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.525 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 33.3 m -82.94 -19.08 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.299 0.571 . . . . 0.0 109.796 171.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.412 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . 17.4 t-80 -72.81 -5.33 37.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.039 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.637 ' HB3' HD22 ' A' ' 21' ' ' LEU . 25.9 tt0 -115.8 -71.0 0.76 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.052 -174.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.637 HD22 ' HB3' ' A' ' 20' ' ' GLU . 1.9 mm? -89.15 -14.6 35.75 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -170.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -66.6 -23.41 66.18 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.514 -0.475 . . . . 0.0 111.442 -176.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' HD3' HH11 ' A' ' 23' ' ' ARG . 13.3 mtm180 -68.13 -33.54 74.68 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.883 176.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.0 t -67.63 -40.21 83.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.696 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 55.4 tttm -71.21 -32.21 68.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.388 177.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -63.91 -47.17 81.61 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.429 ' O ' HG23 ' A' ' 31' ' ' VAL . 62.0 mtt -56.74 -49.03 76.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.567 174.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -52.13 -56.37 14.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.735 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -56.32 -53.95 51.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.313 -177.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.623 HG12 ' HB2' ' A' ' 36' ' ' PHE . 94.6 t -69.35 -34.3 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -173.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 27' ' ' MET . 95.9 t -80.56 -28.04 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.012 0.434 . . . . 0.0 110.822 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -84.15 -28.84 27.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.95 0.405 . . . . 0.0 110.383 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.535 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 67.9 p -89.56 157.76 17.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.338 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.675 ' HA ' ' HB3' ' A' ' 37' ' ' LYS . 8.3 m-20 -66.9 1.95 1.66 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -174.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.5 m -55.57 -53.7 53.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.719 0.295 . . . . 0.0 110.696 175.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.623 ' HB2' HG12 ' A' ' 30' ' ' VAL . 13.2 m-85 -127.38 9.88 6.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.884 0.374 . . . . 0.0 110.862 175.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.675 ' HB3' ' HA ' ' A' ' 34' ' ' ASP . 60.2 tttm -67.18 -13.83 62.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.542 177.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.06 -18.58 69.11 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.003 -0.618 . . . . 0.0 111.981 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -100.61 131.57 23.53 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -62.54 -68.37 0.04 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.292 1.995 . . . . 0.0 111.668 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 105' ' ' ALA . 47.1 mm -125.63 152.24 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.513 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.687 ' HB2' ' HB3' ' A' ' 102' ' ' LEU . 72.5 m-85 -103.02 -173.07 2.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.413 0.625 . . . . 0.0 111.907 -172.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -130.31 178.98 6.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.714 -176.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.582 ' O ' ' HB ' ' A' ' 47' ' ' THR . 64.4 m170 -81.77 -10.41 59.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.319 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.94 -40.61 62.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.24 0.543 . . . . 0.0 110.207 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -70.45 -19.85 62.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.953 173.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.582 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 94.9 m -62.05 -64.67 0.86 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.166 172.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.733 ' HD3' ' HB3' ' A' ' 132' ' ' LYS . 31.8 ptt85 -53.98 -40.27 66.75 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.751 0.31 . . . . 0.0 110.961 -178.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -63.12 -55.92 21.18 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.666 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -66.43 -36.72 83.5 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 47' ' ' THR . 43.6 mm -62.08 -51.9 66.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -62.11 -36.91 83.19 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.596 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -57.98 -38.44 76.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.984 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.412 ' CE2' ' HA ' ' A' ' 19' ' ' HIS . 64.5 t80 -75.67 -33.79 60.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.739 0.304 . . . . 0.0 110.285 178.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 51' ' ' ILE . 72.6 mt -60.45 -42.58 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.111 0.481 . . . . 0.0 110.364 177.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.23 -30.13 64.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.4 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -62.25 -33.87 75.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.684 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -67.56 -46.83 71.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.209 177.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 32.7 t70 -69.41 -6.77 32.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.676 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.8 m -73.43 -26.58 61.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.875 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -71.35 -24.72 62.15 Favored 'General case' 0 C--N 1.335 -0.057 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.136 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 0.6 OUTLIER -56.46 -45.84 80.68 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.043 174.872 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -55.65 -46.32 77.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.194 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 39.4 mt-10 -67.51 -34.89 78.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.122 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.15 -39.11 92.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.986 0.422 . . . . 0.0 110.297 175.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 89.5 mttt -68.56 -30.74 69.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.721 177.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -73.21 -30.94 63.87 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.31 -174.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 64' ' ' GLU . 79.3 mttt -92.63 6.58 46.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.509 -173.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.514 ' HG2' ' HA ' ' A' ' 74' ' ' PRO . 55.9 mtm180 -69.37 -15.11 63.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.166 -179.058 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.3 mtm-85 -56.0 -49.83 72.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.065 0.46 . . . . 0.0 111.387 -176.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.3 m -116.85 -34.4 4.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.585 -176.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 73' ' ' ARG . 10.6 m120 -87.85 -3.85 58.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.166 -173.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.462 ' HB2' ' O ' ' A' ' 72' ' ' ASN . 92.4 mtt180 69.41 159.16 0.15 Allowed Pre-proline 0 N--CA 1.465 0.293 0 O-C-N 123.893 0.745 . . . . 0.0 111.142 -177.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.514 ' HA ' ' HG2' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -60.74 123.8 13.71 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.125 1.883 . . . . 0.0 110.979 173.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 74' ' ' PRO . 3.0 Cg_exo -74.48 80.87 2.18 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.512 2.141 . . . . 0.0 111.534 179.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.4 m -48.97 -37.42 20.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.816 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -74.37 -62.67 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -73.54 -24.34 60.11 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -170.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -66.6 -51.58 54.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.109 0.481 . . . . 0.0 109.749 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.506 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 65.9 t -64.57 -40.71 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.849 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 57.5 tp -58.71 -43.98 90.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 177.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -51.97 67.5 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -56.82 -42.48 79.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.72 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 97.3 mt-30 -62.38 -29.52 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.74 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 81' ' ' LEU . 34.2 mtm180 -64.94 -42.04 95.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.227 0.537 . . . . 0.0 109.764 177.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.8 ttp85 -73.6 -41.85 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.568 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -44.8 95.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.365 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -63.94 -42.64 97.27 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.707 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -67.26 -37.36 83.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.1 mt -67.77 -25.59 65.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.768 0.318 . . . . 0.0 111.094 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -70.05 -45.7 66.55 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -71.81 -32.65 67.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.287 176.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -53.31 -39.78 64.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.313 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -69.91 -39.73 76.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.656 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -99.35 3.4 45.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -173.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.497 ' HA2' ' HA ' ' A' ' 130' ' ' ASN . . . 106.27 108.83 3.34 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.937 -178.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -97.08 145.08 26.33 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 -176.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.2 tp -69.77 103.82 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.648 ' HB2' HD12 ' A' ' 129' ' ' ILE . 42.6 m -128.15 147.35 63.08 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.204 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.48 138.08 29.12 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 121.975 1.783 . . . . 0.0 111.247 175.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -74.43 104.59 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.031 0.443 . . . . 0.0 110.589 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.687 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 35.4 mt -71.18 -10.98 60.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.778 -177.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 p -93.96 20.79 7.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.918 0.39 . . . . 0.0 111.115 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.568 ' O ' ' HG2' ' A' ' 108' ' ' MET . 25.1 t70 -127.44 115.49 18.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.147 174.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.42 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -59.54 -39.35 83.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.389 -175.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.434 ' O ' ' HD1' ' A' ' 110' ' ' PHE . 73.9 tttt -68.07 -39.56 82.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.341 -177.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -58.9 -41.4 87.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.096 0.474 . . . . 0.0 110.129 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.568 ' HG2' ' O ' ' A' ' 104' ' ' ASP . 90.4 mmm -66.46 -35.16 79.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.831 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -59.05 -49.59 77.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.763 176.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.434 ' HD1' ' O ' ' A' ' 106' ' ' LYS . 35.8 m-85 -62.91 -42.95 99.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.462 177.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.8 -40.38 95.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.029 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -76.43 -9.02 58.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.759 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -121.44 19.37 11.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.892 0.377 . . . . 0.0 110.666 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.696 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 15.8 t90 -66.46 117.8 9.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.197 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -90.06 8.31 33.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.266 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 90.28 11.32 62.94 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.468 -176.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.411 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 13.3 m -79.44 127.12 31.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.364 -0.418 . . . . 0.0 110.924 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -74.82 -26.24 59.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.91 0.386 . . . . 0.0 110.654 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -68.17 -29.82 73.49 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.837 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 120' ' ' LEU . 4.2 tt -65.29 -18.69 65.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.094 0.473 . . . . 0.0 110.252 -178.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.452 ' HA ' HD12 ' A' ' 124' ' ' LEU . 83.9 mt -64.79 -25.28 67.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.876 0.37 . . . . 0.0 110.49 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -78.68 -12.99 60.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.199 0.523 . . . . 0.0 110.458 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 69.8 p -104.36 9.06 35.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.361 0.601 . . . . 0.0 110.164 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 121' ' ' LEU . 68.8 mt -104.86 151.83 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.064 177.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -88.89 74.36 8.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.44 0.638 . . . . 0.0 109.742 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.9 mt -86.67 105.89 17.23 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.762 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 40.6 pt -108.86 178.26 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.601 -176.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.591 ' HG2' HG21 ' A' ' 136' ' ' VAL . 40.4 ttt180 -101.01 111.74 24.02 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.648 HD12 ' HB2' ' A' ' 99' ' ' CYS . 54.6 mt -104.42 122.62 57.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.031 0.444 . . . . 0.0 110.804 -177.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.557 ' HB2' HG22 ' A' ' 136' ' ' VAL . 59.7 t30 -82.62 132.19 35.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.357 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.2 t70 51.38 -91.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 O-C-N 124.443 1.089 . . . . 0.0 112.259 171.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.733 ' HB3' ' HD3' ' A' ' 48' ' ' ARG . 99.4 mttt -132.42 83.24 2.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.114 0.483 . . . . 0.0 111.051 -174.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 70.19 37.16 71.88 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.989 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -114.23 157.25 22.95 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.675 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -94.7 122.6 37.47 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.848 -174.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.591 HG21 ' HG2' ' A' ' 128' ' ' ARG . 91.8 t -85.56 111.03 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.033 0.444 . . . . 0.0 110.368 176.338 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.4 m -96.7 171.03 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.906 176.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -76.88 43.17 1.9 Allowed Glycine 0 CA--C 1.518 0.271 0 C-N-CA 121.247 -0.502 . . . . 0.0 112.89 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -174.87 37.45 0.11 Allowed Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -134.48 106.4 7.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.07 179.233 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mmm . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 2' ' ' ARG . 19.5 ttt180 -68.0 -42.05 81.32 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 172.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -83.76 111.7 19.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.434 167.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.2 t0 67.27 108.71 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.785 0.678 . . . . 0.0 110.847 -176.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.9 mttp -72.87 -35.87 67.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.766 -174.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.4 mt -86.48 51.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.932 0.873 . . . . 0.0 110.644 -173.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -161.45 93.83 0.95 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.349 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.12 153.74 51.23 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.7 -177.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -108.09 5.33 25.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.322 0.582 . . . . 0.0 110.181 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -124.03 -176.83 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.751 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -86.18 151.5 23.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.642 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -83.59 148.45 27.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.09 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -78.66 -13.69 59.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.083 0.468 . . . . 0.0 110.408 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -109.39 106.8 16.73 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.47 ' OD2' ' HB3' ' A' ' 17' ' ' ARG . 8.7 t0 -69.63 139.92 53.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.588 -175.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -83.14 -18.21 40.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.173 -178.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.47 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 55.6 ttp180 -72.15 -21.8 61.4 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.341 0.591 . . . . 0.0 109.691 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.4 t -63.99 -20.44 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.762 176.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -49.89 -34.25 19.67 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.771 0.428 . . . . 0.0 111.681 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -80.59 -45.2 17.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.37 -177.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 21' ' ' LEU . 5.8 mp -71.67 -31.86 67.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.899 0.381 . . . . 0.0 110.03 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.12 -25.26 67.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 176.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.2 ttm-85 -65.87 -43.26 88.88 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 27' ' ' MET . 96.9 t -69.17 -37.05 75.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.224 174.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -62.15 -41.25 98.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.755 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.463 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 60.2 t80 -62.55 -41.67 99.05 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.58 ' O ' HG22 ' A' ' 31' ' ' VAL . 59.0 mtt -53.19 -48.67 67.86 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 172.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -56.31 -54.36 46.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.064 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -54.36 -44.74 72.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.874 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 26' ' ' PHE . 69.5 t -59.88 -49.01 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.064 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.657 HG23 ' HG2' ' A' ' 112' ' ' ARG . 20.2 m -90.83 2.75 7.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -173.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -110.15 -23.9 11.01 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.781 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 79.6 p -93.1 171.96 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 176.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.579 ' HA ' ' HB2' ' A' ' 37' ' ' LYS . 24.6 t70 -76.29 -1.7 27.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.859 0.361 . . . . 0.0 110.8 -177.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.413 HG22 ' CD1' ' A' ' 36' ' ' PHE . 55.7 m -55.03 -49.52 71.36 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.288 175.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD1' HG22 ' A' ' 35' ' ' THR . 31.9 m-85 -135.84 26.13 3.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 175.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.579 ' HB2' ' HA ' ' A' ' 34' ' ' ASP . 60.3 tttp -53.92 -30.48 46.5 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.263 176.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.17 -31.51 79.44 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.668 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -116.91 93.04 40.63 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 176.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -76.65 -22.41 12.05 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.432 2.088 . . . . 0.0 113.013 -176.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 105' ' ' ALA . 27.6 mm -118.97 133.62 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -177.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.539 ' HB3' ' HB2' ' A' ' 46' ' ' HIS . 16.0 m-85 -110.67 152.32 26.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.097 0.475 . . . . 0.0 111.344 -178.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -86.51 165.56 16.16 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 171.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.668 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 65.3 m170 -57.91 -18.17 21.35 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.825 0.345 . . . . 0.0 111.309 178.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.26 -37.82 78.56 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 174.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.539 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 83.9 m-70 -78.59 -17.62 55.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.433 178.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 91.8 m -62.67 -61.88 2.12 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.503 ' HB3' ' HA ' ' A' ' 132' ' ' LYS . 21.6 ptt85 -61.24 -29.81 70.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.243 0.544 . . . . 0.0 109.936 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.98 -63.03 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.011 177.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.463 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 44.1 m-85 -74.72 -40.79 61.09 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -175.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.2 mm -63.44 -50.42 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.028 -177.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.543 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 59.5 tp60 -63.19 -47.02 84.34 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.906 -178.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.461 ' HA ' ' HB2' ' A' ' 56' ' ' GLU . 66.9 m -69.58 -25.29 63.9 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.722 0.296 . . . . 0.0 111.751 -177.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.526 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 50.4 t80 -64.34 -36.81 85.33 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 173.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.431 HG12 ' OE1' ' A' ' 89' ' ' GLU . 63.9 mt -71.73 -43.43 70.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.826 174.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 52' ' ' GLN . 45.5 mt-10 -59.6 -16.39 25.41 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.23 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.526 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 34.4 mtt85 -61.99 -12.05 16.64 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 111.485 174.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -65.86 -26.39 67.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.452 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -31.57 72.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.986 0.422 . . . . 0.0 110.343 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.9 m -75.68 -35.26 60.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.457 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -74.54 -35.47 63.12 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.92 -48.21 79.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.613 174.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.45 -33.67 72.89 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.796 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.589 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 3.4 mm-40 -59.5 -48.73 80.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.629 174.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.46 -24.2 66.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.443 0.64 . . . . 0.0 110.748 178.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -92.28 -10.63 37.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.672 -176.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -99.26 -24.82 14.71 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.38 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.589 ' HG3' ' O ' ' A' ' 64' ' ' GLU . 57.6 mttm -84.25 39.65 0.73 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.175 0.512 . . . . 0.0 110.584 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.745 ' HG2' ' HG3' ' A' ' 74' ' ' PRO . 29.7 mtm-85 -60.53 -27.04 67.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.346 177.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 70' ' ' ARG . 47.5 mtp180 59.54 -144.63 0.54 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.725 -178.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.7 m -106.61 15.87 25.24 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.027 0.441 . . . . 0.0 110.224 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -113.35 -91.9 0.49 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.6 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 59.7 mtt85 -160.18 153.44 18.5 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.745 ' HG3' ' HG2' ' A' ' 69' ' ' ARG . 27.7 Cg_exo -62.3 147.34 95.12 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.269 1.979 . . . . 0.0 111.478 175.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 74' ' ' PRO . 37.7 Cg_exo -60.99 96.95 0.12 Allowed 'Trans proline' 0 CA--C 1.527 0.148 0 C-N-CA 122.918 2.412 . . . . 0.0 112.292 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.7 m -65.62 -29.36 69.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.897 0.379 . . . . 0.0 111.269 -176.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -79.06 -53.47 6.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.984 0.421 . . . . 0.0 110.55 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -70.57 -39.14 74.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.351 -173.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -62.0 -42.19 98.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.066 0.46 . . . . 0.0 110.855 -175.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.405 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 59.8 t -74.09 -32.48 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.504 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.09 -34.27 75.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.424 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.01 -45.81 91.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.626 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -58.81 -40.88 85.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.69 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 80.6 mt-30 -66.76 -20.72 66.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -178.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 85' ' ' ARG . 24.8 mmt180 -77.8 -34.35 52.19 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 174.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -63.96 -42.68 97.2 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 171.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.45 -45.15 65.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.07 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -62.07 -50.32 72.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.194 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.431 ' OE1' HG12 ' A' ' 55' ' ' ILE . 10.6 mm-40 -53.12 -52.58 58.23 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.946 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 90' ' ' LEU . 4.1 mm? -67.1 -36.86 82.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.71 -177.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -61.53 -49.61 76.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.975 0.417 . . . . 0.0 110.527 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -72.56 -30.36 64.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.619 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.763 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 17.7 t80 -64.26 -40.05 95.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.719 178.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -88.1 0.37 56.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.434 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.12 10.88 33.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.174 0.512 . . . . 0.0 110.147 176.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.59 85.29 1.6 Allowed Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.763 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 22.5 t80 -82.88 142.69 31.28 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -177.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.0 tp -78.21 101.54 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.957 0.408 . . . . 0.0 110.715 -177.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.665 ' HB2' HD12 ' A' ' 129' ' ' ILE . 80.5 m -128.59 157.61 74.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.22 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -81.02 147.17 16.5 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.427 2.085 . . . . 0.0 111.283 174.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -77.72 102.57 7.18 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.498 ' HA ' ' SD ' ' A' ' 108' ' ' MET . 80.5 mt -64.19 -18.48 64.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.295 -174.307 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.4 p -88.18 5.09 43.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.739 0.304 . . . . 0.0 111.754 -175.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 108' ' ' MET . 15.9 t70 -102.2 106.64 17.51 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 173.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.513 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -64.75 -25.64 68.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.87 -173.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -73.32 -50.0 24.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.344 0.593 . . . . 0.0 109.78 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.427 ' HA ' HD22 ' A' ' 107' ' ' ASN . 4.4 m120 -67.78 -30.09 69.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.919 176.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.513 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 93.0 mmm -66.37 -28.12 68.4 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.8 174.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -68.3 -37.15 80.33 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.34 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -62.99 -38.83 92.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.031 0.443 . . . . 0.0 110.14 171.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.407 HD21 ' HB3' ' A' ' 27' ' ' MET . 9.0 tt -71.56 -42.98 67.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.09 -177.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.657 ' HG2' HG23 ' A' ' 31' ' ' VAL . 52.5 mtp180 -68.32 -25.83 65.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.071 0.463 . . . . 0.0 110.814 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -108.59 21.18 17.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.781 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 44.0 t90 -66.39 157.3 32.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.549 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -147.17 174.66 11.38 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -71.81 63.23 1.23 Allowed Glycine 0 CA--C 1.519 0.343 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.741 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.3 m -133.66 118.18 17.87 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -63.67 -28.98 70.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.93 0.395 . . . . 0.0 110.538 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.12 -20.72 63.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.884 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 48.2 mt -73.69 -11.71 60.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 111.131 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.4 -6.74 59.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.271 0.558 . . . . 0.0 109.549 175.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -96.99 -23.1 16.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.667 174.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 45.4 p -85.33 -18.9 32.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.221 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 58.9 mt -89.73 125.55 35.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.517 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.423 ' HB3' ' OD1' ' A' ' 107' ' ' ASN . 21.0 ttt85 -75.95 82.13 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.695 0.759 . . . . 0.0 109.047 174.291 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.7 mt -85.49 133.7 34.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.299 -177.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.417 HD12 ' OE1' ' A' ' 135' ' ' GLN . 23.9 pt -122.86 173.61 8.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.447 -175.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.433 ' HD2' ' HA3' ' A' ' 139' ' ' GLY . 29.9 mtt180 -96.76 125.19 41.04 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.096 0.474 . . . . 0.0 110.277 175.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.665 HD12 ' HB2' ' A' ' 99' ' ' CYS . 54.9 mt -119.45 136.83 55.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.804 -177.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.4 ' HB3' ' HB3' ' A' ' 134' ' ' GLU . 6.9 t30 -109.2 122.45 47.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.544 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 42.4 m-20 49.2 -93.42 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 171.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.503 ' HA ' ' HB3' ' A' ' 48' ' ' ARG . 76.2 mttt -87.61 25.46 1.47 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.778 -167.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.668 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 84.86 28.26 32.21 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.3 -0.952 . . . . 0.0 111.476 -177.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 130' ' ' ASN . 30.4 tt0 -80.92 140.28 35.39 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -177.257 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.417 ' OE1' HD12 ' A' ' 127' ' ' ILE . 57.1 tp60 -78.89 114.56 17.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.389 -174.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.6 t -102.08 100.14 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 173.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 19.1 m -78.12 129.36 37.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.278 -176.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.36 -71.83 2.86 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.914 178.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.433 ' HA3' ' HD2' ' A' ' 128' ' ' ARG . . . 94.88 10.83 57.28 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.684 -176.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -110.8 143.38 41.45 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 178.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 C--O 1.245 0.858 0 CA-C-O 118.648 -0.692 . . . . 0.0 109.74 178.793 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.847 0.356 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -80.07 -21.84 42.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.021 0.439 . . . . 0.0 110.394 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -71.17 -10.14 59.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.593 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -80.67 2.84 24.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.195 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.6 tttm 60.09 42.8 15.13 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 122.111 0.958 . . . . 0.0 109.27 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.1 tt -68.8 -29.08 42.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.665 -176.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.99 81.61 5.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.885 0.374 . . . . 0.0 111.315 -176.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.42 1.25 0.52 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.362 176.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -93.07 16.82 11.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.386 . . . . 0.0 111.323 -176.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -145.82 -178.27 6.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.404 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -70.29 -51.41 30.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.321 -175.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.0 tp 66.8 15.45 10.14 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.622 0.725 . . . . 0.0 109.88 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -126.71 -39.32 1.99 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.747 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -69.97 -38.77 76.18 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 169.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.55 -45.74 89.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.468 -1.242 . . . . 0.0 109.851 175.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -80.55 37.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.616 -176.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.555 ' HG3' ' H ' ' A' ' 18' ' ' VAL . 11.8 tpt180 -141.03 175.33 9.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.567 -177.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.555 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 29.2 t -57.98 -24.86 24.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -57.63 -26.98 62.37 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -92.05 -54.98 3.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.202 0.525 . . . . 0.0 110.292 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.84 -34.38 78.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.573 -172.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.463 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -65.52 -31.17 72.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.351 . . . . 0.0 111.442 -176.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -70.38 -33.83 71.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.027 0.442 . . . . 0.0 109.982 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.1 t -68.54 -39.31 80.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.262 176.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -70.78 -34.74 72.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.133 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -60.83 -45.65 93.63 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 120.614 -0.434 . . . . 0.0 109.847 175.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.626 ' O ' HG23 ' A' ' 31' ' ' VAL . 67.5 mtt -54.56 -53.91 48.32 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.773 175.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.442 ' HG3' ' HA ' ' A' ' 112' ' ' ARG . 33.4 tt0 -50.49 -54.58 21.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.614 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.0 -43.16 81.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.026 -176.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.684 HG12 ' HB2' ' A' ' 36' ' ' PHE . 59.8 t -78.02 -37.7 23.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.985 -176.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 27' ' ' MET . 98.2 t -65.2 -39.06 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 121.1 0.476 . . . . 0.0 110.058 177.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.45 -18.18 52.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.43 178.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 28.9 t -83.04 153.27 25.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.205 177.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.94 -16.26 63.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.05 0.453 . . . . 0.0 109.877 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.6 m -48.59 -44.99 37.4 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.653 177.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.684 ' HB2' HG12 ' A' ' 30' ' ' VAL . 8.0 m-85 -137.92 15.17 2.87 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.062 0.394 . . . . 0.0 112.062 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 33' ' ' SER . 29.0 ttpt -64.74 -17.35 64.06 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.157 0.503 . . . . 0.0 109.96 175.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.25 -30.15 63.94 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.957 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -95.71 127.57 40.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 176.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.5 -59.29 0.9 Allowed 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.37 2.046 . . . . 0.0 111.079 176.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mm -129.56 153.94 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.008 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.617 ' CE1' HG22 ' A' ' 31' ' ' VAL . 14.1 m-85 -87.0 -165.03 1.18 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.948 0.404 . . . . 0.0 111.772 -174.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -130.9 163.97 26.3 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -176.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.636 ' O ' ' HB ' ' A' ' 47' ' ' THR . 32.6 m170 -71.78 -29.67 64.72 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 174.37 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.17 -32.77 74.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.385 0.612 . . . . 0.0 109.818 173.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -78.53 -15.28 58.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.329 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.636 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 37.0 m -64.81 -55.62 18.51 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 170.229 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' A' ' 132' ' ' LYS . 51.7 ttp180 -54.34 -40.66 68.25 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 121.026 0.441 . . . . 0.0 110.086 177.265 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -65.49 -44.64 86.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.147 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.34 -37.4 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.982 0.42 . . . . 0.0 111.347 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.512 ' O ' HG13 ' A' ' 55' ' ' ILE . 22.6 mm -66.9 -43.44 89.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.287 176.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -64.36 -37.84 88.92 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.552 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 p -68.08 -36.23 79.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.054 0.454 . . . . 0.0 110.726 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -68.28 -25.66 65.26 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 51' ' ' ILE . 68.7 mt -83.71 -16.62 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.872 0.844 . . . . 0.0 109.744 174.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -76.14 -21.28 56.77 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 173.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -53.51 -54.3 39.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.449 174.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -66.41 -28.68 68.81 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.787 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.1 -28.82 68.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.34 0.59 . . . . 0.0 109.914 173.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.432 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 23.6 m -81.78 -27.05 33.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.226 177.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -74.08 -35.52 64.24 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 172.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.639 HD12 HD12 ' A' ' 65' ' ' LEU . 55.7 tp -70.05 -22.42 63.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.127 174.152 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 60' ' ' THR . 28.6 t70 -64.12 -27.11 68.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.792 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.471 ' HB3' ' HE3' ' A' ' 68' ' ' LYS . 31.7 mt-10 -62.98 -44.03 97.17 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.584 175.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.639 HD12 HD12 ' A' ' 62' ' ' LEU . 91.2 mt -64.43 -34.15 77.51 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.401 ' HE2' ' HG ' ' A' ' 62' ' ' LEU . 64.5 mttm -74.1 -23.79 59.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.073 177.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -86.22 -37.38 18.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.115 0.483 . . . . 0.0 110.769 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.671 ' HB3' ' HB3' ' A' ' 72' ' ' ASN . 82.1 mttt -83.87 18.16 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.156 -178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 46.1 ttt180 -72.82 31.23 0.06 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.997 -173.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -115.3 -70.41 0.8 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.079 0.466 . . . . 0.0 110.649 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.7 t -113.13 -9.84 13.48 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.147 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.671 ' HB3' ' HB3' ' A' ' 68' ' ' LYS . 25.2 t-20 -123.59 49.93 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 19.0 ptt-85 -51.57 147.35 11.22 Favored Pre-proline 0 C--O 1.236 0.376 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.356 -173.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.493 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 50.8 Cg_exo -51.48 111.89 0.69 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.271 2.647 . . . . 0.0 112.965 -175.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -68.87 134.42 29.87 Favored 'Trans proline' 0 CA--C 1.511 -0.634 0 C-N-CA 122.731 2.288 . . . . 0.0 111.032 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.2 m -62.31 -36.58 82.59 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 173.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -61.15 -30.95 70.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.615 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -98.58 -49.14 4.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.094 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.477 ' HG3' HD11 ' A' ' 62' ' ' LEU . 48.0 tt0 -57.37 -44.55 84.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.815 0.341 . . . . 0.0 111.018 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.515 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 92.5 t -72.44 -41.31 64.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.403 -177.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.72 -41.65 97.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.402 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.6 -45.43 86.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.254 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -61.79 -34.24 75.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.297 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 82.8 mt-30 -56.63 -35.88 68.84 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.552 0.215 . . . . 0.0 111.065 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -69.41 -38.77 78.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.926 0.394 . . . . 0.0 110.261 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 55.9 ttt85 -63.99 -51.56 63.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.576 177.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.74 -37.38 87.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.208 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -61.69 -47.24 86.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.97 0.414 . . . . 0.0 110.406 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -61.27 -48.16 82.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.011 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 94.7 mt -60.62 -36.59 78.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.24 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -66.27 -31.92 73.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.538 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -73.44 -44.13 58.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -65.08 -28.13 69.25 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.021 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -70.07 -16.88 63.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.612 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -115.4 9.45 15.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 110.367 177.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.54 122.77 2.85 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.148 -177.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -115.35 155.5 27.23 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.2 tp -73.74 106.5 5.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.081 0.467 . . . . 0.0 109.935 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.46 ' HB3' HD12 ' A' ' 129' ' ' ILE . 52.8 t -128.21 142.16 43.66 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.882 -177.235 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.515 ' HG2' ' SD ' ' A' ' 27' ' ' MET . 29.3 Cg_endo -65.87 134.35 37.1 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 121.927 1.751 . . . . 0.0 111.122 175.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.19 130.66 42.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.945 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.598 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 50.6 mt -104.09 23.82 12.39 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.491 -176.101 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.6 p -113.19 -33.55 5.95 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.457 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -79.19 125.93 30.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.944 0.402 . . . . 0.0 110.176 176.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.01 -24.78 58.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.741 -173.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -74.59 -45.83 42.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -56.17 -45.3 79.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.121 174.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 14.9 mtp -69.21 -30.59 68.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.44 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -70.5 -41.08 73.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.752 0.31 . . . . 0.0 110.347 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -64.27 -38.35 90.75 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.68 -39.37 88.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.422 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.442 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 14.6 mtp85 -70.05 -19.38 63.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.891 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -118.49 19.16 13.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.237 0.541 . . . . 0.0 110.535 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -72.92 142.73 47.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.122 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -134.85 -179.32 5.53 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -70.78 77.21 0.52 Allowed Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.993 -0.623 . . . . 0.0 113.071 -175.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 119' ' ' GLY . 84.1 m -152.65 125.95 8.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.698 0.285 . . . . 0.0 110.452 178.126 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -72.48 -23.43 61.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.721 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.463 ' H ' HG22 ' A' ' 117' ' ' THR . . . -61.94 -34.14 87.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.248 176.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 120' ' ' LEU . 2.0 tt -66.42 -21.15 66.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.589 0.709 . . . . 0.0 109.905 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.488 HD23 HD12 ' A' ' 124' ' ' LEU . 87.1 mt -76.57 0.17 21.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.517 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -93.04 -27.68 16.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.143 172.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 43.7 p -82.14 -31.11 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.488 HD12 HD23 ' A' ' 121' ' ' LEU . 51.1 mt -73.81 111.43 8.96 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.161 172.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 63.7 mtt85 -78.33 73.6 4.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.831 0.824 . . . . 0.0 109.926 176.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.407 HD11 HD22 ' A' ' 121' ' ' LEU . 31.3 mt -76.6 127.39 32.72 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.572 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.536 HD12 ' HG3' ' A' ' 135' ' ' GLN . 24.3 pt -106.52 176.12 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.208 -175.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -96.63 111.22 23.45 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.46 HD12 ' HB3' ' A' ' 99' ' ' CYS . 38.1 mt -110.77 128.07 67.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.1 -174.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -91.2 120.47 32.15 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.424 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 9.8 p-10 26.62 -73.74 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.481 ' HA ' ' HD3' ' A' ' 48' ' ' ARG . 49.1 mttt -67.49 -15.74 63.83 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -171.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.444 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 110.16 18.14 8.95 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -171.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -83.07 119.29 24.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.865 -0.668 . . . . 0.0 110.178 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.536 ' HG3' HD12 ' A' ' 127' ' ' ILE . 49.6 tt0 -69.34 117.27 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.154 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 31.8 t -82.71 97.68 4.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.192 -177.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 23.1 m -121.36 147.66 25.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.979 177.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.34 -21.83 4.92 Favored Glycine 0 C--O 1.228 -0.255 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.521 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -108.36 43.72 1.64 Allowed Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 -176.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -83.06 8.6 12.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.896 0.379 . . . . 0.0 110.068 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 . . . . . 0 C--O 1.247 0.925 0 CA-C-N 115.122 -0.944 . . . . 0.0 109.707 -179.109 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.8 mtt . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -68.76 -34.86 76.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.987 0.422 . . . . 0.0 109.914 174.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.33 149.44 31.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.835 177.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -85.45 -68.54 0.72 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.398 -175.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -81.92 155.82 25.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.738 -176.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.4 tt -135.98 138.68 47.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.909 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.55 168.69 18.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.954 0.407 . . . . 0.0 111.011 -177.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.38 144.92 25.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.1 mttp -83.78 111.17 18.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.139 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -78.97 168.17 20.07 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.153 -176.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -86.6 -21.97 26.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.181 0.515 . . . . 0.0 109.801 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.5 mt -76.56 114.06 14.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.905 176.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -116.82 150.59 38.1 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.392 -179.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -72.12 -5.9 38.73 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.641 -176.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.45 -41.82 86.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.222 0.534 . . . . 0.0 110.575 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.526 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 46.2 mttm -72.01 -21.77 61.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.683 -178.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 -57.58 -40.29 78.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.072 0.463 . . . . 0.0 110.382 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.3 t -72.34 -41.92 65.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.092 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -23.21 66.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 179.166 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 49.2 mt-10 -80.6 -64.13 1.26 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.062 0.458 . . . . 0.0 110.736 174.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.1 -35.12 79.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.438 -171.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.11 -31.12 69.74 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -71.24 -40.95 70.74 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.258 0.551 . . . . 0.0 109.833 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.4 t -68.12 -36.23 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.986 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -62.13 -40.24 95.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.728 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.518 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 75.6 t80 -59.73 -43.39 94.23 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 178.02 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.49 ' O ' HG23 ' A' ' 31' ' ' VAL . 57.2 mtt -54.39 -50.6 67.16 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.315 174.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 111' ' ' LEU . 40.1 tt0 -54.77 -53.0 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.013 176.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -56.49 -42.29 78.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.13 -177.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 26' ' ' PHE . 79.7 t -62.44 -41.59 92.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.56 -179.081 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 27' ' ' MET . 47.8 t -71.39 -35.87 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.068 0.461 . . . . 0.0 111.039 -178.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -81.95 -23.17 36.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.375 -176.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 48.1 t -90.49 149.78 22.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.391 -177.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.56 -4.37 11.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.344 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.2 m -57.31 -45.83 83.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.773 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.506 ' HB3' ' HZ ' ' A' ' 42' ' ' PHE . 26.8 m-85 -136.14 17.45 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.208 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 33' ' ' SER . 32.9 ttpt -56.78 -28.89 62.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.852 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.01 -19.2 63.28 Favored Glycine 0 C--N 1.333 0.368 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.778 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -113.65 96.19 39.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -61.83 -31.92 85.41 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.849 2.366 . . . . 0.0 113.032 -174.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 105' ' ' ALA . 31.1 mm -119.9 147.26 23.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.787 0.327 . . . . 0.0 110.221 -179.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.616 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 64.5 m-85 -115.2 -156.82 0.62 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.796 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 11.6 t70 -157.05 174.78 14.99 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -178.384 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.449 ' O ' ' HB ' ' A' ' 47' ' ' THR . 15.7 m-70 -63.42 -22.69 67.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.006 0.431 . . . . 0.0 110.365 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.1 83.31 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.477 173.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.542 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 88.1 m-70 -82.9 -17.4 43.85 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.449 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 98.5 m -61.26 -61.8 2.3 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.86 172.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.469 ' HB3' ' C ' ' A' ' 132' ' ' LYS . 49.1 ptt85 -56.73 -42.88 80.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.147 179.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.542 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 29.2 mt-10 -49.91 -61.2 2.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.531 176.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.518 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 14.0 m-85 -74.3 -38.54 63.34 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -174.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.497 ' O ' HG13 ' A' ' 55' ' ' ILE . 34.9 mm -64.49 -46.33 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.939 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 85.2 mm-40 -63.43 -38.0 89.44 Favored 'General case' 0 N--CA 1.461 0.077 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 178.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.4 m -63.84 -37.48 87.55 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 110.661 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 22.4 t80 -67.1 -32.75 74.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 51' ' ' ILE . 68.9 mt -68.1 -29.09 43.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.261 0.553 . . . . 0.0 110.017 175.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 51.9 mt-10 -71.12 -24.59 62.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.434 175.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 54' ' ' PHE . 94.8 mtt180 -66.63 -27.91 68.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.227 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -68.97 -26.19 64.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.327 0.584 . . . . 0.0 109.857 174.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.451 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 13.7 t70 -73.38 -22.89 60.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.442 177.015 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.4 m -63.08 -36.52 83.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.097 0.475 . . . . 0.0 110.226 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -79.39 -21.43 45.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.332 0.586 . . . . 0.0 110.019 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.493 HD13 ' HB3' ' A' ' 82' ' ' LEU . 49.9 tp -71.26 -37.71 71.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.402 174.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 27.1 t70 -73.54 -22.67 60.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.234 176.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -66.73 -30.41 70.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.61 173.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.44 HD11 ' HB2' ' A' ' 82' ' ' LEU . 99.9 mt -69.53 -34.16 73.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.692 173.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.413 ' HD2' ' HA ' ' A' ' 63' ' ' ASP . 68.4 mttm -66.15 -37.44 85.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.621 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -78.23 -2.3 37.09 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.852 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -62.45 -45.84 91.25 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -112.93 -176.56 2.93 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -67.14 164.17 18.61 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.4 m -75.09 53.69 0.63 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.478 0.656 . . . . 0.0 110.574 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -126.54 -60.65 1.24 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.116 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.3 mtm-85 -133.74 97.33 15.69 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.625 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -75.19 161.09 38.75 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 123.047 2.498 . . . . 0.0 111.334 175.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.501 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 38.6 Cg_exo -61.42 106.95 0.44 Allowed 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.778 2.319 . . . . 0.0 112.127 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 80' ' ' VAL . 1.6 m -59.07 -52.88 63.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.013 0.435 . . . . 0.0 110.878 -178.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -71.37 -46.48 60.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.307 -174.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.501 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 79.5 mtt-85 -65.14 -37.83 88.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.308 -174.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -67.14 -38.27 85.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.054 0.454 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 76' ' ' SER . 92.0 t -70.58 -34.21 56.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.427 177.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.2 tp -59.94 -43.27 95.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.818 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.493 ' HB3' HD13 ' A' ' 62' ' ' LEU . 2.0 tm? -60.64 -47.01 88.13 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 175.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -54.39 -47.66 72.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.532 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -64.17 -38.82 92.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.716 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -66.66 -47.55 72.17 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.38 0.61 . . . . 0.0 110.325 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -60.7 -40.84 93.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.125 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.98 -36.83 84.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.232 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -60.65 -48.46 81.68 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.573 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -71.37 -31.26 67.12 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.481 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.06 -44.17 96.55 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -60.85 -44.02 97.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.127 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.05 -39.41 93.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.66 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.748 ' CE2' ' HA ' ' A' ' 131' ' ' ASP . 31.7 t80 -61.7 -38.56 88.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.172 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -78.04 3.05 15.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.045 0.45 . . . . 0.0 111.404 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.07 -2.51 34.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.083 0.468 . . . . 0.0 110.291 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.19 82.71 1.29 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.787 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.525 ' HB2' ' HD1' ' A' ' 93' ' ' PHE . 34.2 t80 -80.46 155.45 27.06 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -177.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 37.4 tp -78.25 96.06 5.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.119 0.485 . . . . 0.0 110.485 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.606 ' HB2' HD12 ' A' ' 129' ' ' ILE . 80.7 m -128.54 144.23 51.34 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.122 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.666 ' HA ' ' HA ' ' A' ' 126' ' ' LEU . 55.3 Cg_endo -71.49 164.0 37.16 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.086 1.857 . . . . 0.0 111.994 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.96 -43.49 98.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.24 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.616 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 17.1 tp 76.71 -18.68 0.47 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.369 173.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.796 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 4.0 p -106.56 13.92 27.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.159 0.504 . . . . 0.0 111.371 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 13.6 t70 -108.72 131.96 54.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.765 177.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.475 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -67.2 -40.87 86.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.8 0.333 . . . . 0.0 111.682 -176.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' A' ' 106' ' ' LYS . 8.2 mtmp? -68.18 -33.61 74.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.217 0.532 . . . . 0.0 109.706 178.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.499 ' HA ' ' HD2' ' A' ' 110' ' ' PHE . 6.1 t30 -57.47 -41.7 81.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.208 173.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 15.9 mmt -67.65 -29.31 68.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.474 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.99 -41.8 99.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.499 ' HD2' ' HA ' ' A' ' 107' ' ' ASN . 51.2 m-85 -60.99 -42.18 97.93 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.643 177.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 28' ' ' GLN . 9.6 mp -62.16 -47.8 82.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.822 0.344 . . . . 0.0 110.696 177.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -73.76 -0.44 15.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.45 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -117.9 1.13 12.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.608 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.468 ' HA ' HD13 ' A' ' 120' ' ' LEU . 19.8 t90 -74.06 108.57 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.413 0.625 . . . . 0.0 110.69 -175.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -93.32 -16.88 24.21 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.566 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 125.3 -12.18 7.57 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.33 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.557 HG22 ' H ' ' A' ' 119' ' ' GLY . 51.7 m -63.06 122.96 17.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.743 0.306 . . . . 0.0 110.923 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.571 ' HA ' HD23 ' A' ' 121' ' ' LEU . 54.0 t80 -65.53 -20.16 66.22 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.328 -178.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.557 ' H ' HG22 ' A' ' 117' ' ' THR . . . -62.01 -27.83 69.44 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 121.127 -0.558 . . . . 0.0 112.47 177.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 120' ' ' LEU . 2.7 tt -71.3 -21.15 62.11 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 121.176 0.513 . . . . 0.0 109.806 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 118' ' ' PHE . 4.5 mm? -73.32 -3.47 27.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.156 0.503 . . . . 0.0 110.807 -178.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -92.3 -35.7 13.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.733 172.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 39.6 p -86.96 -31.48 20.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.639 -175.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.491 ' HG ' ' CB ' ' A' ' 110' ' ' PHE . 1.9 tt -69.3 133.33 47.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.184 175.486 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.449 ' O ' ' HA ' ' A' ' 100' ' ' PRO . 40.9 ttm180 -78.06 85.49 4.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 0.0 111.451 -177.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.666 ' HA ' ' HA ' ' A' ' 100' ' ' PRO . 5.4 mp -103.81 128.07 51.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.684 171.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.427 HG13 HG13 ' A' ' 129' ' ' ILE . 18.9 pt -117.97 -171.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.156 -177.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.451 ' NH1' ' HA3' ' A' ' 139' ' ' GLY . 58.0 mtm180 -96.51 112.16 24.01 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.606 HD12 ' HB2' ' A' ' 99' ' ' CYS . 23.2 mt -114.42 133.9 59.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.241 -175.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.532 ' HB2' ' CG2' ' A' ' 136' ' ' VAL . 43.1 t-20 -106.12 109.22 21.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.427 -176.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.748 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 11.0 t0 58.45 -82.79 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 166.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.469 ' C ' ' HB3' ' A' ' 48' ' ' ARG . 14.0 mptt -90.97 29.75 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.492 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 82.46 17.05 69.62 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.6 176.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -81.03 135.81 35.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.151 0.5 . . . . 0.0 111.243 -174.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -62.16 118.87 7.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.369 177.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.532 ' CG2' ' HB2' ' A' ' 130' ' ' ASN . 94.1 t -93.0 127.18 45.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.366 -0.379 . . . . 0.0 109.992 173.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 24.1 m -112.88 161.09 12.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.96 -98.27 2.26 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.635 -178.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.451 ' HA3' ' NH1' ' A' ' 128' ' ' ARG . . . 90.1 -15.27 59.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.521 177.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -103.91 15.92 27.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.189 0.519 . . . . 0.0 109.899 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 C--O 1.247 0.942 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.192 -176.889 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.226 -0.136 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -63.66 -27.74 69.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.957 0.408 . . . . 0.0 109.935 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 2.3 mp0 -91.55 -51.58 5.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.16 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.44 ' HG ' HD11 ' A' ' 121' ' ' LEU . 7.2 mp -70.67 -45.7 64.6 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -171.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -27.42 68.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.033 0.444 . . . . 0.0 110.785 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.435 ' NH2' ' HA ' ' A' ' 20' ' ' GLU . 36.5 ttp180 -62.99 -47.43 83.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.38 177.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.3 t -69.51 -40.14 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.307 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -58.72 -40.49 83.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.536 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.43 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.3 t80 -60.62 -53.09 61.65 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.294 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.486 ' O ' HG23 ' A' ' 31' ' ' VAL . 55.9 mtt -56.15 -46.59 79.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.863 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -58.1 -54.95 41.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.953 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.15 -38.95 80.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.293 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 26' ' ' PHE . 49.4 t -60.7 -41.49 88.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.251 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 27' ' ' MET . 58.8 t -73.4 -37.83 51.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.056 0.455 . . . . 0.0 110.694 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.42 ' OD1' ' HG3' ' A' ' 112' ' ' ARG . 5.8 m-20 -79.22 -17.56 54.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.29 -173.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.57 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 75.6 p -100.63 166.4 10.92 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.71 1.35 6.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.7 0.286 . . . . 0.0 110.868 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.5 m -54.99 -55.38 31.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.332 175.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.402 ' HB2' HG12 ' A' ' 30' ' ' VAL . 40.9 m-85 -136.91 29.38 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.287 176.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.57 ' HB2' ' O ' ' A' ' 33' ' ' SER . 8.1 tmtm? -57.73 -32.52 67.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.715 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.91 -16.51 72.6 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.719 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -102.51 113.8 65.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.05 0.452 . . . . 0.0 109.987 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -76.59 -45.61 0.19 Allowed 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.282 1.988 . . . . 0.0 112.475 -178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.455 ' CG2' ' HA ' ' A' ' 103' ' ' SER . 35.5 mm -130.67 151.15 35.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.716 -175.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.682 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 98.7 m-85 -116.47 -170.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.834 0.349 . . . . 0.0 110.401 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -133.04 -171.64 2.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.98 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.695 ' O ' ' HB ' ' A' ' 47' ' ' THR . 15.6 m170 -78.7 -18.66 53.98 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -177.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.05 -42.39 66.34 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 173.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -68.65 -22.73 64.39 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.206 173.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.695 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 22.9 m -55.26 -63.54 1.13 Allowed 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.042 172.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.53 ' HD2' ' HD3' ' A' ' 132' ' ' LYS . 54.6 ttt85 -57.7 -38.71 75.68 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.655 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.19 -57.05 10.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.994 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -77.12 -38.02 52.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.816 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.9 mm -61.98 -47.94 90.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.693 0.283 . . . . 0.0 111.01 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -65.29 -39.51 92.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.597 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.5 m -61.27 -38.55 87.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.742 0.306 . . . . 0.0 110.883 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -63.52 -41.35 98.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.824 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.3 mt -75.38 -52.89 17.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.048 0.451 . . . . 0.0 110.544 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -71.94 -1.39 14.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.269 -173.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -53.75 -25.03 16.94 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.117 0.485 . . . . 0.0 110.309 170.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -62.43 -31.81 72.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.292 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.12 -31.77 66.33 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.465 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.8 m -63.94 -35.37 80.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.363 0.601 . . . . 0.0 109.785 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.65 -39.0 38.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.747 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.492 HD12 HD12 ' A' ' 65' ' ' LEU . 47.4 tp -64.01 -30.8 71.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.338 177.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.2 -34.31 74.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.32 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -66.91 -31.13 71.52 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.449 176.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.547 HD22 ' HG2' ' A' ' 75' ' ' PRO . 79.7 mt . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.547 ' HG2' HD22 ' A' ' 65' ' ' LEU . 3.9 Cg_exo . . . . . 0 N--CA 1.459 -0.518 0 N-CA-C 111.287 -0.313 . . . . 0.0 111.287 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.9 m -51.6 -42.78 62.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.154 -174.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -88.88 -49.8 6.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.587 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 78' ' ' ARG . 50.3 mtt180 -71.73 -27.56 63.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -169.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.46 ' HG3' HD11 ' A' ' 62' ' ' LEU . 53.3 tt0 -68.25 -33.61 74.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.148 0.499 . . . . 0.0 109.852 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.502 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 61.4 t -77.0 -45.48 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.93 176.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.3 tp -57.3 -41.77 80.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.297 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.05 -44.74 94.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.63 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 53.4 tt0 -67.2 -31.66 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.117 0.484 . . . . 0.0 110.908 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 96.5 mt-30 -66.46 -32.18 73.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.096 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -67.07 -36.47 82.09 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 83' ' ' GLN . 32.2 ttm180 -56.65 -46.11 81.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.379 176.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -56.69 -42.88 79.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.633 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -65.29 -47.61 76.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.396 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.87 -41.01 97.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.318 . . . . 0.0 111.056 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.9 mt -66.58 -31.45 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.649 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -69.98 -35.36 74.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.344 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -71.29 -37.18 71.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.758 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.694 ' HD1' ' HB2' ' A' ' 97' ' ' PHE . 41.5 t80 -64.43 -40.22 95.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.233 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.86 -20.71 65.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.651 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -99.48 16.88 21.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.374 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.06 94.12 1.18 Allowed Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.698 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.694 ' HB2' ' HD1' ' A' ' 93' ' ' PHE . 3.3 t80 -75.39 143.21 42.89 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 44.5 tp -73.73 94.15 2.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.141 0.496 . . . . 0.0 109.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 44.2 t -128.04 145.75 56.54 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.607 -175.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.607 ' HB3' HD21 ' A' ' 107' ' ' ASN . 18.1 Cg_exo -65.11 151.41 85.72 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.977 1.784 . . . . 0.0 110.107 169.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -63.7 -29.83 71.0 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.682 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 10.9 tp 73.75 1.67 4.0 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.841 170.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.455 ' HA ' ' CG2' ' A' ' 41' ' ' ILE . 57.8 m -116.16 -13.11 11.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.033 0.444 . . . . 0.0 111.57 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.5 ' O ' ' HG2' ' A' ' 108' ' ' MET . 12.0 t70 -83.8 119.62 25.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.049 176.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.46 -19.98 62.15 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -173.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -74.09 -50.11 21.01 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.607 HD21 ' HB3' ' A' ' 100' ' ' PRO . 43.2 t30 -58.35 -45.29 88.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.622 176.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.529 ' SD ' HD12 ' A' ' 102' ' ' LEU . 91.3 mmm -64.31 -29.99 71.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.006 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -78.34 -38.21 42.64 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.04 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -63.16 -39.74 95.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.037 0.446 . . . . 0.0 109.92 171.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.65 -35.69 74.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.224 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.42 ' HG3' ' OD1' ' A' ' 32' ' ' ASN . 51.1 ttp180 -70.51 -31.76 68.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.988 176.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -97.62 19.44 13.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.798 -173.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.613 ' HA ' HD13 ' A' ' 120' ' ' LEU . 45.1 t90 -72.18 103.4 3.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.18 0.514 . . . . 0.0 110.296 176.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -93.24 36.37 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.597 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 68.95 39.48 85.11 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.471 -0.871 . . . . 0.0 111.01 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.745 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 7.6 m -98.49 131.09 45.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.536 -0.332 . . . . 0.0 110.627 -175.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -79.0 -39.63 33.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.504 -177.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.6 -26.78 72.08 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.072 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.745 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 0.9 OUTLIER -68.15 -20.73 64.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.261 0.553 . . . . 0.0 109.987 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.44 HD11 ' HG ' ' A' ' 21' ' ' LEU . 97.1 mt -77.12 -2.57 34.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.735 -178.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -106.86 -22.69 12.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.263 0.554 . . . . 0.0 109.654 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 48.4 p -88.73 -12.62 41.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.882 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 120' ' ' LEU . 79.7 mt -76.07 153.59 36.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.664 177.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 125' ' ' ARG . 21.3 ttt180 -83.93 73.41 10.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.649 0.738 . . . . 0.0 109.234 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 83.9 mt -97.98 127.84 44.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.568 -176.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 19.6 pt -129.02 -179.25 2.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.998 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.503 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 10.7 mtp180 -100.32 116.52 32.48 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 176.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.575 HG21 HG21 ' A' ' 47' ' ' THR . 40.6 mt -114.9 132.44 64.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.31 -175.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -113.87 135.7 53.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.311 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.415 ' OD2' ' HG2' ' A' ' 132' ' ' LYS . 29.3 t0 56.98 -93.76 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 169.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.53 ' HD3' ' HD2' ' A' ' 48' ' ' ARG . 43.7 mmtm -101.23 14.93 30.43 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -171.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.675 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 103.47 32.39 4.56 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 119.876 -1.154 . . . . 0.0 111.166 -176.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -84.4 141.99 30.45 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -177.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -78.2 113.92 16.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.62 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 59.5 t -93.92 115.39 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.344 178.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.2 m . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.116 177.888 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.416 HG22 ' HB2' ' A' ' 22' ' ' ALA . 9.2 p . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 120.64 0.257 . . . . 0.0 111.495 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -53.43 -31.11 43.78 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.027 0.442 . . . . 0.0 110.441 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.608 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 44.9 mm-40 -95.11 -35.66 11.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.028 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 118' ' ' PHE . 5.9 mp -83.12 -26.81 30.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -170.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' HB2' HG22 ' A' ' 18' ' ' VAL . . . -56.5 -30.21 62.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.164 0.507 . . . . 0.0 110.909 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.608 ' NH2' ' HA ' ' A' ' 20' ' ' GLU . 2.2 ptp180 -75.82 -35.38 60.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.524 -177.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.43 -41.02 42.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.009 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -67.56 -35.8 79.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.303 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.509 ' O ' HG23 ' A' ' 30' ' ' VAL . 83.3 t80 -61.16 -49.27 77.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.365 176.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.6 mtt -58.04 -41.78 83.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.881 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -61.01 -44.96 96.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.979 0.419 . . . . 0.0 110.857 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -61.66 -44.11 97.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.446 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.81 HG12 ' HB2' ' A' ' 36' ' ' PHE . 58.9 t -68.8 -39.44 80.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.068 -174.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.0 m -74.02 -27.36 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 120.929 0.395 . . . . 0.0 111.506 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -84.11 -20.7 32.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.258 0.552 . . . . 0.0 110.655 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 36.8 t -89.93 159.91 16.69 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.718 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -72.13 -5.0 32.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.64 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.481 HG22 ' HD2' ' A' ' 36' ' ' PHE . 72.0 m -52.9 -56.48 15.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.728 174.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.81 ' HB2' HG12 ' A' ' 30' ' ' VAL . 10.4 m-85 -136.36 25.96 3.18 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 33' ' ' SER . 36.4 ttpt -66.89 -12.6 59.89 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.432 0.634 . . . . 0.0 110.0 176.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.36 -20.45 76.85 Favored Glycine 0 C--N 1.334 0.428 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.23 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -116.06 97.3 49.15 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 120.54 0.21 . . . . 0.0 110.508 176.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.24 -28.32 72.68 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.371 2.047 . . . . 0.0 111.147 175.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' ' 102' ' ' LEU . 33.7 mm -124.36 130.38 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.342 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -90.07 142.08 28.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.439 0.638 . . . . 0.0 111.816 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.42 ' CG ' ' HD1' ' A' ' 46' ' ' HIS . 2.1 p30 -82.85 173.24 12.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.364 172.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.645 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 25.2 m170 -86.94 -14.35 42.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.573 -173.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.2 -49.01 60.43 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 172.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.42 ' HD1' ' CG ' ' A' ' 43' ' ' ASP . 50.1 m80 -69.03 -22.09 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.375 174.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.539 ' OG1' ' HA ' ' A' ' 44' ' ' HIS . 53.8 m -58.92 -54.81 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 171.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -60.09 -40.06 88.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.07 0.462 . . . . 0.0 110.024 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.41 -49.35 76.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.602 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -69.04 -46.56 67.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.619 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 47' ' ' THR . 68.9 mt -58.45 -49.44 82.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.956 0.408 . . . . 0.0 110.892 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -64.9 -35.25 80.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.757 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.7 t -66.52 -33.21 75.17 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.103 0.477 . . . . 0.0 110.242 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -62.37 -47.63 83.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.189 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.4 mt -74.29 -17.43 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 121.711 0.767 . . . . 0.0 110.286 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.868 ' HA ' HH21 ' A' ' 86' ' ' ARG . 33.2 tt0 -80.57 -21.82 41.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.595 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.604 ' HD3' ' O ' ' A' ' 57' ' ' ARG . 3.5 tmt_? -59.4 -23.98 63.07 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.65 178.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -68.39 -9.29 47.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.124 -0.36 . . . . 0.0 111.698 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -30.71 70.86 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.8 m -63.71 -37.9 89.07 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.26 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.72 -45.72 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.118 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.2 tp -64.49 -33.5 76.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.839 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.86 -44.13 97.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.708 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -69.4 -27.67 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.179 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 121.345 0.593 . . . . 0.0 109.691 173.577 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.655 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 1.5 Cg_endo . . . . . 0 C--O 1.232 0.193 0 N-CA-C 113.017 0.353 . . . . 0.0 113.017 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.7 m -67.82 -29.44 68.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.589 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -86.7 -42.14 13.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.349 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.655 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 65.1 mtt-85 -70.87 -31.57 68.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -175.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 75' ' ' PRO . 64.2 mt-30 -65.66 -38.79 90.32 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 94.6 t -71.32 -40.97 74.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.201 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.5 tp -60.04 -40.55 89.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.505 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.8 -43.81 74.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.237 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -56.6 -40.57 75.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.937 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 97.6 mt-30 -60.03 -38.72 83.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.476 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.595 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 5.1 ttp180 -74.15 -37.65 63.96 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.868 HH21 ' HA ' ' A' ' 56' ' ' GLU . 43.2 ttt180 -68.52 -34.82 76.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.527 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -65.52 -38.51 89.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.165 0.507 . . . . 0.0 109.88 174.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.424 ' HB3' ' O ' ' A' ' 85' ' ' ARG . 27.8 tt0 -58.91 -39.46 81.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.562 176.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 3.9 mm-40 -62.41 -46.36 88.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.892 177.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.42 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.4 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -57.39 -46.26 83.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.675 176.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.83 -36.49 72.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.299 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 1.008 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 47.0 t80 -65.45 -46.52 79.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.319 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.545 ' HD3' ' O ' ' A' ' 94' ' ' LYS . 9.2 tmtm? -70.3 -20.78 62.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.233 0.54 . . . . 0.0 110.222 -177.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.32 4.66 53.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.471 176.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.26 89.49 2.11 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.067 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 1.008 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 17.1 t80 -78.47 141.44 38.24 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -178.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 127' ' ' ILE . 30.3 tp -74.14 93.4 2.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.079 0.466 . . . . 0.0 111.325 -176.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.612 ' HB2' HD12 ' A' ' 129' ' ' ILE . 75.7 m -128.18 159.31 67.76 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.19 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.26 147.06 71.52 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.472 2.114 . . . . 0.0 111.455 175.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 103' ' ' SER . 3.4 m-20 -53.33 -36.28 61.12 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.251 176.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 41' ' ' ILE . 20.9 mt 71.45 -26.78 0.17 Allowed 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 114.717 -1.129 . . . . 0.0 112.519 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 101' ' ' ASP . 20.8 m -85.99 17.36 3.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.108 0.48 . . . . 0.0 110.781 -175.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -126.79 136.64 52.67 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.233 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.21 -30.41 57.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.868 -174.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 106' ' ' LYS . 29.0 mmtp -79.31 -32.73 43.56 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -58.53 -50.91 72.06 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 170.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 43.5 tpp -61.8 -30.34 70.75 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.309 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.462 ' HG3' ' NH2' ' A' ' 112' ' ' ARG . 33.8 tt0 -65.01 -52.63 55.01 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 122.181 -0.324 . . . . 0.0 110.608 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.496 ' HB3' HD23 ' A' ' 124' ' ' LEU . 29.4 m-85 -58.0 -39.97 79.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.988 0.423 . . . . 0.0 110.638 176.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.72 -38.0 85.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.782 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.462 ' NH2' ' HG3' ' A' ' 109' ' ' GLU . 29.0 ttp85 -72.64 -41.36 65.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.428 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -86.57 7.69 25.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.318 0.58 . . . . 0.0 110.537 -176.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -68.42 141.64 55.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.821 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -127.53 -170.16 2.18 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -73.39 62.32 1.85 Allowed Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.877 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.5 m -131.5 105.41 7.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.968 0.413 . . . . 0.0 110.174 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.429 ' HB3' HD21 ' A' ' 21' ' ' LEU . 11.6 p90 -69.71 -16.35 63.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.439 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -73.94 -10.41 80.68 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.336 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.8 mt -83.67 -0.98 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 124' ' ' LEU . 58.6 mt -78.26 -12.25 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.166 0.507 . . . . 0.0 110.37 178.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -94.2 -24.87 17.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.979 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 63.1 p -82.74 -32.27 27.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.211 0.529 . . . . 0.0 110.231 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.503 HD12 HD23 ' A' ' 121' ' ' LEU . 20.3 mt -63.86 139.14 58.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.854 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -75.95 93.97 3.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.421 173.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 80.1 mt -118.81 137.48 53.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.158 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 98' ' ' LEU . 43.9 pt -123.17 -173.09 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.265 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.568 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 42.1 mtp180 -104.57 119.36 38.8 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 175.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.612 HD12 ' HB2' ' A' ' 99' ' ' CYS . 38.2 mt -110.41 132.63 58.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -178.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -127.24 144.48 51.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.35 -175.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 62.82 -78.34 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 172.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -134.86 36.1 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.906 0.384 . . . . 0.0 111.77 -171.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.645 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 92.34 17.78 44.87 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 119.939 -1.125 . . . . 0.0 111.994 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -80.67 137.84 36.34 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -79.83 117.35 20.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.022 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.568 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 59.2 t -82.28 112.45 20.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.393 -176.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.319 -0.745 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 171.591 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 18' ' ' VAL . 29.2 t . . . . . 0 C--O 1.225 -0.233 0 CA-C-O 121.397 0.617 . . . . 0.0 109.975 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -70.8 -36.33 72.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.323 0.582 . . . . 0.0 109.892 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -81.36 -27.24 34.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.477 175.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.3 mt -74.98 -36.8 62.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.143 0.497 . . . . 0.0 110.205 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.28 -19.88 62.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.251 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -42.94 93.05 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.487 HG22 ' HG3' ' A' ' 100' ' ' PRO . 69.6 t -70.59 -42.76 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.291 178.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.2 tttm -61.13 -41.04 96.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.89 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.3 t80 -59.57 -47.49 85.34 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 176.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.648 ' O ' HG23 ' A' ' 31' ' ' VAL . 66.2 mtt -59.56 -48.12 82.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.49 178.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.573 ' HG3' ' HA ' ' A' ' 112' ' ' ARG . 38.4 tt0 -55.78 -47.11 77.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.999 0.428 . . . . 0.0 110.328 178.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.98 -46.68 88.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.347 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.484 HG12 ' HB2' ' A' ' 36' ' ' PHE . 77.2 t -62.73 -43.18 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.654 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 27' ' ' MET . 61.2 t -61.65 -36.11 71.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.362 0.601 . . . . 0.0 110.444 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.613 HD21 ' HG3' ' A' ' 112' ' ' ARG . 53.9 m-80 -94.51 3.58 54.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.888 -178.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.8 t -100.01 150.42 22.45 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 1.029 ' HA ' ' HB2' ' A' ' 37' ' ' LYS . 21.7 m-20 -70.45 -4.51 22.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.221 0.534 . . . . 0.0 110.384 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.448 HG22 ' CD1' ' A' ' 36' ' ' PHE . 26.3 m -58.12 -44.64 87.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.445 172.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.484 ' HB2' HG12 ' A' ' 30' ' ' VAL . 50.2 m-85 -138.32 30.88 2.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.559 0.695 . . . . 0.0 109.966 177.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 1.029 ' HB2' ' HA ' ' A' ' 34' ' ' ASP . 17.0 tptm -52.78 -35.13 56.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.021 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.32 15.29 63.59 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.031 -176.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -116.28 94.52 42.66 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 178.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.421 ' O ' ' HG2' ' A' ' 108' ' ' MET . 29.0 Cg_exo -62.67 -48.07 7.89 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.919 2.413 . . . . 0.0 112.267 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.7 mm -115.97 148.91 18.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.517 ' CE1' HG22 ' A' ' 31' ' ' VAL . 42.4 m-85 -111.94 127.93 56.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.362 0.601 . . . . 0.0 111.366 -176.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.31 155.41 21.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.183 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -62.54 -24.89 67.75 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 48' ' ' ARG . . . -68.16 -35.31 77.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.42 173.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -74.75 -38.66 62.18 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.49 HG21 HD13 ' A' ' 129' ' ' ILE . 87.2 m -56.59 -51.13 69.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.181 0.515 . . . . 0.0 110.045 171.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 1.013 ' HG3' ' HB3' ' A' ' 132' ' ' LYS . 14.0 ttt180 -42.69 -52.05 5.05 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.805 174.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -73.08 -43.28 62.05 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.169 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.69 -44.45 96.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 47' ' ' THR . 68.5 mt -61.13 -49.24 85.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.403 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -64.2 -44.08 93.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.812 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.4 t -66.87 -33.52 75.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.342 -177.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -64.0 -40.23 95.9 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.692 HG23 ' HB2' ' A' ' 86' ' ' ARG . 83.6 mt -63.13 -42.17 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.181 176.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.3 -19.04 63.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.575 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.429 HH21 ' HA ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -71.11 -30.26 66.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.437 179.563 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.429 ' HA ' HH21 ' A' ' 57' ' ' ARG . 11.9 t70 -67.08 -31.73 72.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.339 0.59 . . . . 0.0 110.13 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.06 -23.13 67.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.506 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.2 m -74.83 -26.99 60.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.514 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.456 ' CD ' HH12 ' A' ' 85' ' ' ARG . 54.3 tt0 -82.66 -33.18 27.85 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 174.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.709 ' HB2' HD12 ' A' ' 82' ' ' LEU . 54.5 tp -62.18 -32.03 72.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.016 172.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.41 -31.16 72.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.636 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.15 -38.49 83.27 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.38 175.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.558 178.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo . . . . . 0 N--CA 1.45 -1.035 0 CA-C-O 120.651 0.188 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.5 m -73.14 -72.8 0.23 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.968 0.413 . . . . 0.0 110.568 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -76.49 -35.04 58.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.948 -176.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -65.59 -29.83 70.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.606 -174.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -73.52 -34.52 65.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.091 0.472 . . . . 0.0 109.809 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.482 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 62.1 t -66.93 -39.99 84.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.068 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -55.56 -39.88 71.22 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.301 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.709 HD12 ' HB2' ' A' ' 62' ' ' LEU . 1.6 tm? -67.28 -53.84 26.17 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 87' ' ' ASP . 46.0 tt0 -51.32 -38.49 53.28 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.448 -178.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 26.7 mt-30 -60.12 -25.05 65.17 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -177.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.456 HH12 ' CD ' ' A' ' 61' ' ' GLU . 97.8 mtt180 -49.21 -64.1 0.91 Allowed 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.714 0.769 . . . . 0.0 110.134 177.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.692 ' HB2' HG23 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -91.61 -6.3 52.49 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.227 -172.403 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 83' ' ' GLN . 0.5 OUTLIER -76.82 -36.89 56.57 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 172.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -66.83 -39.99 87.85 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.182 170.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 93' ' ' PHE . 42.3 mt-10 -59.92 -33.21 71.58 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.93 176.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 85.4 mt -69.7 -33.29 72.32 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.043 0.449 . . . . 0.0 110.722 176.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -64.88 -40.67 95.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.289 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -83.45 -26.08 30.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.166 0.508 . . . . 0.0 110.078 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.482 ' HB3' ' O ' ' A' ' 90' ' ' LEU . 68.2 t80 -52.12 -42.17 63.09 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.217 1.007 . . . . 0.0 110.372 174.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -62.1 -30.77 71.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.782 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -111.18 14.42 21.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.83 0.347 . . . . 0.0 111.109 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.572 ' HA2' ' HA ' ' A' ' 130' ' ' ASN . . . 87.85 124.85 2.12 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.079 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -95.82 154.78 17.05 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 54.7 tp -75.27 98.63 3.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.031 0.444 . . . . 0.0 111.005 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.471 ' HB2' HD12 ' A' ' 129' ' ' ILE . 71.7 m -128.6 145.24 55.26 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.257 177.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.836 ' HA ' ' HA ' ' A' ' 126' ' ' LEU . 33.7 Cg_endo -67.08 150.84 82.42 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.351 2.034 . . . . 0.0 112.613 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.23 109.98 8.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.098 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.548 HD21 ' SD ' ' A' ' 27' ' ' MET . 34.8 mt -92.16 0.86 57.47 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -177.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.8 p -98.26 12.11 35.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.949 0.404 . . . . 0.0 111.552 -175.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.421 ' HB3' ' ND2' ' A' ' 107' ' ' ASN . 23.5 t70 -127.4 137.98 52.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.319 176.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.4 -26.4 55.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -174.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.436 ' HD3' ' H ' ' A' ' 106' ' ' LYS . 3.4 mppt? -77.73 -36.22 51.07 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.523 HD21 ' HD3' ' A' ' 125' ' ' ARG . 94.2 m-20 -63.73 -45.16 91.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.135 174.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.427 ' SD ' HG21 ' A' ' 31' ' ' VAL . 39.8 tpp -62.54 -33.85 75.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.925 0.393 . . . . 0.0 110.457 175.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.13 -51.06 69.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.238 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -64.55 -33.65 76.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.737 0.303 . . . . 0.0 110.863 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.452 ' HG ' HG13 ' A' ' 24' ' ' VAL . 9.9 tt -66.83 -40.47 88.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.544 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.613 ' HG3' HD21 ' A' ' 32' ' ' ASN . 58.9 ttt180 -77.94 -33.09 51.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.142 0.496 . . . . 0.0 110.491 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -87.37 19.21 3.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.704 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.659 ' HA ' HD13 ' A' ' 120' ' ' LEU . 16.7 t90 -68.18 112.14 4.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.115 0.483 . . . . 0.0 109.784 178.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -86.56 -2.09 58.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.309 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.25 -0.36 60.1 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.449 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.8 t -82.41 141.59 32.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.574 ' HA ' HD23 ' A' ' 121' ' ' LEU . 67.5 t80 -72.42 -25.01 61.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.185 -177.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.89 -26.06 68.46 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.268 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.659 HD13 ' HA ' ' A' ' 114' ' ' TRP . 1.6 mt -69.02 -16.46 63.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.093 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 118' ' ' PHE . 4.2 mm? -81.15 -9.06 59.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.047 0.451 . . . . 0.0 110.408 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -93.44 -19.01 21.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.772 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.524 ' OG1' HD23 ' A' ' 120' ' ' LEU . 71.4 p -98.15 -33.5 11.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.427 0.632 . . . . 0.0 110.202 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 120' ' ' LEU . 0.5 OUTLIER -71.48 130.06 40.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.468 176.229 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.523 ' HD3' HD21 ' A' ' 107' ' ' ASN . 8.3 ttt180 -81.77 95.13 7.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.304 0.574 . . . . 0.0 111.075 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.836 ' HA ' ' HA ' ' A' ' 100' ' ' PRO . 8.8 mp -98.61 130.46 45.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.146 171.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 20.6 pt -126.18 -172.85 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.087 0.47 . . . . 0.0 111.165 -173.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.543 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 10.8 mmm180 -96.96 122.12 39.6 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.49 HD13 HG21 ' A' ' 47' ' ' THR . 37.9 mt -118.9 121.22 66.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.007 0.432 . . . . 0.0 110.25 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.572 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . 23.7 t-20 -91.54 136.18 33.31 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.881 -172.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.7 t70 52.94 -97.13 0.06 Allowed 'General case' 0 CA--C 1.531 0.228 0 O-C-N 124.39 1.056 . . . . 0.0 111.618 173.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 1.013 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . 63.5 mttm -126.68 80.76 1.96 Allowed 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.896 -0.503 . . . . 0.0 111.114 -176.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 74.49 22.38 77.44 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.6 -0.727 . . . . 0.0 113.763 172.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -95.08 132.28 40.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.109 0.455 . . . . 0.0 110.322 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -67.42 131.37 45.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.241 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.543 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 20.1 t -125.73 101.28 8.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.144 171.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 54.4 t . . . . . 0 C--N 1.32 -0.695 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 173.195 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.512 ' HA ' ' HB2' ' A' ' 21' ' ' LEU . 35.7 t . . . . . 0 N--CA 1.456 -0.153 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -53.08 -43.71 66.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.466 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -87.07 -31.84 20.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.663 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.512 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 85.7 mt -58.08 -43.22 86.93 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.831 0.348 . . . . 0.0 111.002 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.98 -30.65 68.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.631 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.447 ' NH1' ' HZ ' ' A' ' 97' ' ' PHE . 63.8 mtt85 -73.95 -39.05 64.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.854 0.359 . . . . 0.0 110.296 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -67.52 -37.91 79.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.238 0.542 . . . . 0.0 109.601 174.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -57.37 -46.19 83.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.415 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -57.36 -40.8 78.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.731 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.567 ' O ' HG23 ' A' ' 31' ' ' VAL . 59.7 mtt -67.46 -43.64 80.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.129 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.8 tm0? -62.5 -43.23 99.32 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -60.33 -52.14 66.52 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.995 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 27' ' ' MET . 10.5 p -64.14 -34.1 66.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -174.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 27' ' ' MET . 81.4 t -62.9 -37.94 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.465 0.65 . . . . 0.0 109.964 175.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -96.32 6.32 49.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.788 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.488 ' HB3' ' HA ' ' A' ' 30' ' ' VAL . 45.8 t -102.11 142.47 33.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.439 -178.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -61.46 -17.1 52.92 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.228 -176.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.0 m -59.66 -36.98 77.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.252 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.401 ' HB2' HG22 ' A' ' 30' ' ' VAL . 41.8 m-85 -143.68 24.8 1.69 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.668 0.271 . . . . 0.0 111.364 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 33' ' ' SER . 61.6 tttm -64.86 -24.91 67.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.987 0.423 . . . . 0.0 110.721 -177.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.23 -17.56 72.27 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.745 178.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -110.4 107.81 58.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 110.425 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.0 -34.41 38.29 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.755 2.303 . . . . 0.0 112.262 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 37.3 mm -123.3 147.39 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.153 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.405 ' HB2' ' HB3' ' A' ' 102' ' ' LEU . 50.2 m-85 -103.52 -165.32 1.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.722 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.525 ' H ' ' HB2' ' A' ' 46' ' ' HIS . 4.3 m-20 -132.17 169.47 16.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.085 -172.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.525 ' O ' ' HB ' ' A' ' 47' ' ' THR . 17.6 m-70 -70.93 -31.96 68.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.018 0.437 . . . . 0.0 110.024 177.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.15 -39.74 78.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.968 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.525 ' HB2' ' H ' ' A' ' 43' ' ' ASP . 4.7 m80 -65.75 -29.43 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.74 175.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.525 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 72.6 m -55.3 -58.39 7.93 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 170.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.545 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 22.8 ttt180 -52.54 -46.72 66.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.333 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.55 -51.56 68.07 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.574 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -69.21 -39.87 78.34 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.5 mm -62.67 -47.62 92.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.169 0.509 . . . . 0.0 109.759 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -66.08 -31.4 72.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.81 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 t -62.11 -39.94 94.2 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.262 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -69.62 -33.22 72.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.978 0.418 . . . . 0.0 110.007 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.421 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 67.6 mt -70.71 -34.92 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.175 0.512 . . . . 0.0 110.072 175.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -68.98 -21.86 64.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.573 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -55.43 -29.14 58.05 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.358 174.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.619 ' HB2' HH22 ' A' ' 85' ' ' ARG . 2.1 t70 -56.83 -36.56 70.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.273 177.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.493 ' HB2' HH12 ' A' ' 86' ' ' ARG . 19.8 t70 -68.5 -16.8 64.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.379 -176.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.8 m -76.31 -36.1 58.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.115 0.483 . . . . 0.0 109.96 175.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.04 -40.73 37.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.459 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.3 tp -65.21 -29.18 69.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.564 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -53.61 -41.52 66.73 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.142 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -56.12 -45.86 79.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.825 176.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.51 HD21 ' HD2' ' A' ' 78' ' ' ARG . 85.9 mt . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.961 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.51 ' HB2' ' HB3' ' A' ' 78' ' ' ARG . 13.3 Cg_exo . . . . . 0 N--CA 1.461 -0.39 0 CA-C-O 120.416 0.09 . . . . 0.0 112.235 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.1 p -59.15 -49.23 78.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.992 0.425 . . . . 0.0 110.258 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -56.23 -57.0 14.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.094 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.51 ' HB3' ' HB2' ' A' ' 75' ' ' PRO . 40.4 ttm-85 -61.28 -46.05 91.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.587 -176.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.498 ' HA ' HD13 ' A' ' 65' ' ' LEU . 34.0 tt0 -62.89 -48.12 80.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.041 -177.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.81 -39.32 84.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.355 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.7 tp -62.74 -45.47 92.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.927 0.394 . . . . 0.0 110.489 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.33 -49.86 75.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.776 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.09 -37.28 86.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.368 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -66.8 -27.47 67.6 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.446 0.165 . . . . 0.0 111.317 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.619 HH22 ' HB2' ' A' ' 58' ' ' ASP . 4.7 ttp-105 -63.01 -50.66 69.86 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 174.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.615 ' HD2' ' OD1' ' A' ' 58' ' ' ASP . 31.6 ttt180 -60.78 -42.08 96.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.414 177.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -57.35 -45.02 84.79 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.632 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -69.75 -38.77 76.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 85' ' ' ARG . 77.4 mt-10 -59.96 -39.58 86.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.934 0.397 . . . . 0.0 110.368 177.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 95.2 mt -63.18 -37.24 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.703 177.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -73.65 -36.53 65.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.372 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.72 -37.63 88.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.505 0.669 . . . . 0.0 109.576 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 1.026 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 37.6 t80 -67.17 -40.35 86.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.47 177.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -66.11 -33.84 76.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.839 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.14 17.19 3.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.337 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.58 86.67 1.14 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.596 -0.812 . . . . 0.0 111.517 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 1.026 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 28.7 t80 -80.12 148.93 30.77 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -175.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.9 tp -72.34 94.89 1.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.951 0.405 . . . . 0.0 110.539 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.704 ' HB2' HD12 ' A' ' 129' ' ' ILE . 15.1 m -128.18 150.36 73.73 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.409 -178.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.512 ' HG2' ' SD ' ' A' ' 27' ' ' MET . 5.7 Cg_exo -75.25 153.1 40.39 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.356 2.037 . . . . 0.0 111.616 171.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -70.75 -27.5 63.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.724 ' HA ' ' SD ' ' A' ' 108' ' ' MET . 44.9 mt 62.44 14.7 7.15 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.645 177.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.9 m -110.88 -43.32 3.81 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.466 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.95 113.05 5.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.951 0.405 . . . . 0.0 109.957 176.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.06 -37.95 78.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.035 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -68.48 -35.48 77.59 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.483 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.624 ' ND2' ' HB2' ' A' ' 125' ' ' ARG . 45.8 t30 -64.81 -44.52 89.63 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.724 ' SD ' ' HA ' ' A' ' 102' ' ' LEU . 92.6 mmm -63.3 -37.18 86.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.973 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.07 -39.46 86.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.371 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -72.18 -30.38 64.92 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.5 tt -68.46 -35.79 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.405 172.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 112' ' ' ARG . 33.2 ttt180 -70.36 -23.62 62.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.287 177.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -86.86 2.01 50.51 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.295 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.456 ' CZ2' ' HA2' ' A' ' 116' ' ' GLY . 46.4 t90 -65.89 115.07 5.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.933 0.397 . . . . 0.0 110.816 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -104.71 21.18 17.34 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 110.729 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.456 ' HA2' ' CZ2' ' A' ' 114' ' ' TRP . . . 90.62 37.76 6.4 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -173.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.912 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 0.2 OUTLIER -94.14 124.25 38.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.266 -0.467 . . . . 0.0 110.597 -175.31 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -78.21 -40.67 36.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.965 0.412 . . . . 0.0 110.295 -178.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -68.51 -12.71 64.36 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.392 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.912 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 0.5 OUTLIER -72.72 -14.48 61.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.39 0.615 . . . . 0.0 109.883 179.112 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.413 HD11 ' CD2' ' A' ' 21' ' ' LEU . 69.0 mt -73.55 -19.03 61.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.159 0.504 . . . . 0.0 110.089 176.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -97.95 13.66 30.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.195 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 50.0 p -129.37 -34.1 1.86 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.172 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.74 152.34 35.98 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.317 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.624 ' HB2' ' ND2' ' A' ' 107' ' ' ASN . 38.0 mtp85 -77.1 72.24 3.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.27 0.557 . . . . 0.0 109.884 173.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.7 102.92 15.09 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.776 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.503 HD12 ' HG3' ' A' ' 135' ' ' GLN . 16.9 pt -106.67 176.16 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.259 -175.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -96.79 120.8 37.8 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 175.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.704 HD12 ' HB2' ' A' ' 99' ' ' CYS . 25.3 mt -118.52 132.24 68.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.292 -175.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -101.7 120.39 40.27 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.581 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.6 t70 56.76 -93.94 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 171.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.545 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 10.9 pttm -100.79 44.27 1.02 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -167.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.456 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 79.6 31.01 42.21 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.346 176.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -90.72 111.5 22.89 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.503 ' HG3' HD12 ' A' ' 127' ' ' ILE . 54.2 tt0 -70.54 119.0 14.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.171 0.51 . . . . 0.0 110.843 -177.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.9 t -84.84 97.35 5.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.605 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.359 -176.334 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.0 t . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.774 0.321 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -67.12 -8.52 31.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.331 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.74 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 37.5 tp10 -102.19 -66.59 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.903 -178.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.5 mt -70.54 -31.93 69.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.282 -170.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 -32.48 72.24 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.74 ' NH1' ' HA ' ' A' ' 20' ' ' GLU . 15.6 mtm-85 -66.41 -43.67 85.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.174 0.511 . . . . 0.0 109.87 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.41 -45.1 94.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.713 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -68.16 -30.93 70.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.792 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 30' ' ' VAL . 63.1 t80 -60.49 -54.92 39.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 173.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.583 ' O ' HG23 ' A' ' 31' ' ' VAL . 63.0 mtt -55.77 -45.19 78.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.201 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -50.24 -57.35 8.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.049 176.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.563 ' HA ' ' HB2' ' A' ' 32' ' ' ASN . 81.0 m-20 -73.72 -16.09 61.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.058 -173.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 26' ' ' PHE . 53.6 t -72.73 -37.66 56.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 172.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 27' ' ' MET . 20.6 t -75.82 -26.84 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.84 176.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.563 ' HB2' ' HA ' ' A' ' 29' ' ' ASP . 86.0 m-20 -77.73 -38.67 46.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.155 177.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 35.6 t -78.07 159.8 28.48 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.803 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.09 1.1 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.126 0.489 . . . . 0.0 110.451 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 m -56.94 -55.24 37.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.491 174.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.417 ' HD1' ' HG3' ' A' ' 39' ' ' GLN . 52.6 m-85 -137.57 22.53 2.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.334 178.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 33' ' ' SER . 35.2 ttpt -57.76 -31.38 66.44 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.025 0.441 . . . . 0.0 111.352 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.1 -4.9 89.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.516 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 83.6 mm-40 -107.03 121.0 46.17 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 39' ' ' GLN . 23.2 Cg_exo -65.78 -61.47 0.09 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.641 2.227 . . . . 0.0 112.601 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 105' ' ' ALA . 7.5 mm -125.76 163.69 26.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -176.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.889 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 92.2 m-85 -110.22 -160.38 0.71 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.993 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.595 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 1.9 p30 -142.29 -177.68 5.37 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.257 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.537 ' O ' ' HB ' ' A' ' 47' ' ' THR . 4.3 m-70 -81.11 -21.71 39.67 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.601 0.239 . . . . 0.0 111.448 -177.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.01 -37.96 72.65 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 175.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -67.24 -26.09 66.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.679 173.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.537 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 93.9 m -57.88 -63.56 1.21 Allowed 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 172.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.611 ' HD3' ' HB3' ' A' ' 132' ' ' LYS . 12.8 ptt180 -61.21 -32.25 72.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.122 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.22 -50.15 72.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.686 0.279 . . . . 0.0 110.744 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -73.54 -40.37 64.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.546 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 47' ' ' THR . 46.4 mm -65.69 -43.59 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.785 0.326 . . . . 0.0 110.997 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -62.96 -47.64 82.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.7 p -67.75 -32.85 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.178 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -61.86 -39.82 93.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.806 0.336 . . . . 0.0 110.804 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.2 mt -81.32 -39.22 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.805 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -67.43 -18.25 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.244 0.545 . . . . 0.0 110.211 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.585 ' HB3' HH11 ' A' ' 57' ' ' ARG . 2.6 ttp-105 -54.42 -36.21 63.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.092 176.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -64.7 -22.2 66.92 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.674 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.28 -21.35 63.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.989 0.423 . . . . 0.0 110.184 177.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.9 m -78.27 -28.13 47.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.226 178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -84.8 -34.02 22.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.26 0.552 . . . . 0.0 109.683 174.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.36 -27.26 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.476 171.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.71 -32.41 73.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.376 178.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.83 -48.61 79.81 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 174.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 79' ' ' GLN . 97.4 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.009 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo . . . . . 0 N--CA 1.462 -0.345 0 CA-C-O 120.59 0.162 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 80' ' ' VAL . 8.0 p -60.76 -57.8 11.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.565 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -63.48 -43.76 96.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.775 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.7 mtt-85 -64.17 -41.22 97.22 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -176.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.401 ' HA ' HD13 ' A' ' 65' ' ' LEU . 48.0 tt0 -67.0 -39.91 87.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.983 0.421 . . . . 0.0 110.465 178.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.493 ' O ' ' HG2' ' A' ' 84' ' ' GLN . 69.4 t -64.58 -40.35 88.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.505 177.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.3 tp -59.78 -41.63 91.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.775 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.97 -47.39 86.66 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -57.36 -49.82 74.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.361 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 80' ' ' VAL . 86.5 mm-40 -55.03 -46.2 75.27 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.867 -176.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -67.17 -42.7 83.84 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.238 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.481 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 52.5 ttp180 -63.11 -46.81 85.57 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -178.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.57 -36.3 80.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.571 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.03 -44.23 93.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.086 0.469 . . . . 0.0 110.437 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -74.27 -25.93 59.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.1 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 92.4 mt -66.15 -31.34 72.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.337 0.589 . . . . 0.0 109.735 172.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.501 ' HD3' ' C ' ' A' ' 91' ' ' LYS . 5.1 tmtm? -71.12 -40.78 71.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.772 175.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -61.0 -35.63 77.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.421 0.629 . . . . 0.0 109.607 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -60.42 -39.52 87.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.549 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 90' ' ' LEU . 84.0 mttt -71.43 -30.66 66.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.506 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.1 12.13 5.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.814 -172.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.95 81.25 1.02 Allowed Glycine 0 N--CA 1.442 -0.958 0 C-N-CA 120.34 -0.933 . . . . 0.0 110.784 -174.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.559 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 28.5 t80 -55.51 129.46 38.95 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 122.753 0.421 . . . . 0.0 110.408 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.8 tp -67.1 103.31 1.16 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.161 0.505 . . . . 0.0 110.481 -176.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.688 ' HB2' HD12 ' A' ' 129' ' ' ILE . 33.9 m -128.51 154.28 79.41 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.794 -179.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.56 149.15 55.07 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.096 1.864 . . . . 0.0 109.622 166.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -55.95 -36.59 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.004 0.431 . . . . 0.0 110.298 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.889 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 15.4 tp 75.7 -32.4 0.21 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.318 171.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.595 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 5.7 p -87.48 -18.17 30.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.928 0.394 . . . . 0.0 110.495 175.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.91 122.62 24.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.388 174.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.561 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -64.87 -36.8 85.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.335 -175.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.515 ' HB3' ' NH2' ' A' ' 125' ' ' ARG . 51.1 tptt -65.19 -40.35 94.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.916 0.388 . . . . 0.0 110.288 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.607 HD21 ' HB2' ' A' ' 125' ' ' ARG . 18.5 m-80 -58.45 -46.06 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.496 173.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.45 ' SD ' HD22 ' A' ' 111' ' ' LEU . 36.4 tpp -66.1 -28.27 68.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.091 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -62.88 -52.93 61.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.705 0.288 . . . . 0.0 110.314 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.452 ' CZ ' ' HE3' ' A' ' 106' ' ' LYS . 48.2 m-85 -68.01 -34.18 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.542 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.45 HD22 ' SD ' ' A' ' 108' ' ' MET . 7.7 tt -64.3 -37.33 87.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.06 -178.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 112' ' ' ARG . 26.6 ttt180 -80.77 -25.22 38.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.134 0.492 . . . . 0.0 110.757 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -95.53 18.94 11.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.307 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.57 ' HA ' HD13 ' A' ' 120' ' ' LEU . 25.9 t90 -78.36 137.29 37.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.768 -175.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -145.0 -157.12 0.76 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.16 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -73.28 62.07 1.81 Allowed Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 172.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.403 ' HB ' HD12 ' A' ' 120' ' ' LEU . 11.7 m -132.46 103.94 6.44 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -174.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -73.81 -19.92 60.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.922 0.391 . . . . 0.0 110.839 -176.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.66 -17.33 68.91 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.971 176.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.57 HD13 ' HA ' ' A' ' 114' ' ' TRP . 47.1 mt -73.83 -13.39 60.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 0.0 111.3 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 121' ' ' LEU . 3.6 mm? -78.81 -13.61 59.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.376 0.608 . . . . 0.0 109.473 175.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -91.66 -29.47 16.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.8 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 49.6 p -81.07 -37.82 28.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.988 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.94 135.79 55.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.047 176.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.607 ' HB2' HD21 ' A' ' 107' ' ' ASN . 1.0 OUTLIER -92.25 77.24 5.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.623 0.725 . . . . 0.0 109.603 178.042 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 14.3 mt -82.22 123.57 29.14 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.834 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.524 HD12 ' HG3' ' A' ' 135' ' ' GLN . 16.6 pt -123.42 -175.55 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.599 -175.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.58 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 98.0 mtt180 -96.44 123.87 40.24 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.688 HD12 ' HB2' ' A' ' 99' ' ' CYS . 21.9 mt -120.77 113.85 41.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 121.444 0.64 . . . . 0.0 110.006 176.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -99.35 145.96 26.79 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.39 -171.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.6 t70 58.31 -87.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.4 -1.273 . . . . 0.0 112.203 174.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.611 ' HB3' ' HD3' ' A' ' 48' ' ' ARG . 90.5 mttt -138.73 79.87 1.76 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.196 0.522 . . . . 0.0 111.714 -176.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 74.9 13.9 82.09 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.549 -0.75 . . . . 0.0 113.294 173.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 129' ' ' ILE . 38.5 mt-10 -90.26 134.87 34.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -177.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.524 ' HG3' HD12 ' A' ' 127' ' ' ILE . 49.8 tt0 -87.37 129.44 35.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.351 0.595 . . . . 0.0 110.939 -174.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.58 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 11.0 t -103.72 135.99 38.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.399 177.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.306 0.575 . . . . 0.0 110.779 179.151 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.0 t . . . . . 0 CA--C 1.522 -0.121 0 CA-C-O 120.89 0.376 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.564 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 42.2 m80 -66.0 -11.79 50.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.438 177.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.01 -47.96 40.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.425 HD21 HD11 ' A' ' 121' ' ' LEU . 7.5 mp -72.3 -36.97 69.08 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.464 177.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.564 ' HB3' ' HA ' ' A' ' 19' ' ' HIS . . . -56.77 -29.67 62.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.403 174.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.486 ' HD3' ' CD1' ' A' ' 51' ' ' ILE . 33.7 ttm180 -70.8 -40.27 72.64 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.4 t -60.43 -43.19 93.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.701 174.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 55.0 tttm -57.9 -47.34 83.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.526 175.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.446 ' O ' HG23 ' A' ' 30' ' ' VAL . 77.8 t80 -57.56 -49.06 77.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.518 ' O ' HG23 ' A' ' 31' ' ' VAL . 53.7 mtt -57.89 -42.54 84.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.553 177.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -59.66 -52.62 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.328 176.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -57.66 -46.95 83.57 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.895 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.479 HG12 ' HB2' ' A' ' 36' ' ' PHE . 73.0 t -59.17 -46.24 92.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 27' ' ' MET . 50.2 t -69.42 -32.23 52.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.056 0.455 . . . . 0.0 110.947 -177.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -88.09 -7.99 56.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.121 0.486 . . . . 0.0 110.912 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 18.7 t -97.47 153.11 18.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.377 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.77 -10.09 11.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.433 HG22 ' CD2' ' A' ' 36' ' ' PHE . 28.0 m -53.26 -46.02 69.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.644 175.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.479 ' HB2' HG12 ' A' ' 30' ' ' VAL . 19.2 m-85 -143.05 14.4 1.88 Allowed 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 33' ' ' SER . 37.8 ttpt -68.03 -13.29 62.07 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.155 0.502 . . . . 0.0 110.664 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.91 -18.33 72.44 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.764 -0.731 . . . . 0.0 111.887 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -100.18 136.0 20.19 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.91 -67.95 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.595 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 105' ' ' ALA . 40.3 mm -136.41 152.73 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.674 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 24.2 m-85 -89.68 -167.14 1.77 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.678 0.275 . . . . 0.0 110.799 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.863 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 6.4 m-20 -143.17 -178.23 5.74 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -177.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.41 ' O ' ' HB ' ' A' ' 47' ' ' THR . 17.1 m170 -69.24 -23.27 63.84 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.02 75.39 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.346 172.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 54.7 m-70 -69.43 -23.46 63.69 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.154 175.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.415 ' O ' HG12 ' A' ' 51' ' ' ILE . 90.7 m -65.68 -53.34 42.38 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 169.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 1.053 ' HG3' ' HB3' ' A' ' 132' ' ' LYS . 59.0 ttt180 -50.41 -47.87 56.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.464 174.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.497 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 32.2 mt-10 -57.46 -58.5 8.0 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.992 177.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -67.5 -41.03 85.13 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -174.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.486 ' CD1' ' HD3' ' A' ' 23' ' ' ARG . 41.5 mm -64.46 -36.06 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.804 0.335 . . . . 0.0 110.453 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -61.96 -46.39 89.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.159 174.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.2 m -64.9 -29.6 70.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.021 0.439 . . . . 0.0 111.017 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -66.78 -42.89 85.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.96 0.41 . . . . 0.0 110.27 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.5 mt -74.6 -32.91 30.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.308 0.575 . . . . 0.0 110.223 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.75 -31.27 71.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.366 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -59.17 -38.38 79.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.48 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -77.52 -33.99 54.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.954 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.6 -34.11 72.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.023 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 90.8 m -63.93 -38.58 91.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.071 176.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -69.68 -40.0 76.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.539 0.685 . . . . 0.0 109.22 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.548 ' HA ' HD23 ' A' ' 82' ' ' LEU . 58.9 tp -61.85 -42.05 98.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.688 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -67.39 -31.82 72.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.928 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -67.54 -44.49 78.18 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.419 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.218 0.532 . . . . 0.0 109.565 175.878 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo . . . . . 0 N--CA 1.463 -0.301 0 CA-C-O 120.658 0.191 . . . . 0.0 112.122 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.1 m 55.34 -87.88 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.793 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -69.27 -29.24 67.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.262 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.95 -31.49 72.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.193 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -66.39 -47.68 72.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.314 0.578 . . . . 0.0 109.743 177.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.1 t -67.21 -35.76 74.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.287 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.44 -41.61 84.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.362 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 62' ' ' LEU . 36.3 tp -66.8 -36.55 82.64 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 175.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -60.78 -43.58 97.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.162 174.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -65.59 -33.77 76.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -40.82 75.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.335 0.588 . . . . 0.0 109.433 177.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.453 ' HD2' HD22 ' A' ' 62' ' ' LEU . 27.8 ttt-85 -57.26 -53.99 51.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.702 173.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.511 ' HA ' HD12 ' A' ' 90' ' ' LEU . 1.3 m-20 -63.71 -33.01 74.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.314 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.07 -49.41 76.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.719 0.295 . . . . 0.0 110.651 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -67.02 -30.11 70.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.233 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 87' ' ' ASP . 95.5 mt -65.5 -39.32 91.73 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.499 175.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -67.92 -38.35 82.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.308 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -69.48 -33.52 73.0 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.587 ' HD1' ' HB2' ' A' ' 97' ' ' PHE . 1.6 t80 -66.11 -36.37 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.734 175.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -75.65 -13.18 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.948 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.25 -16.37 16.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.591 177.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.03 90.41 0.9 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.988 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.587 ' HB2' ' HD1' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -76.47 138.75 40.49 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -179.436 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.4 tp -80.21 97.11 6.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.125 0.488 . . . . 0.0 110.742 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.725 ' HB2' HD12 ' A' ' 129' ' ' ILE . 73.4 m -128.06 152.38 77.47 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.926 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -80.17 151.27 20.65 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 121.877 1.718 . . . . 0.0 111.729 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.17 102.1 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 174.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.674 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 13.8 tp -79.23 5.87 11.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.182 -172.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.863 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 7.3 p -113.27 6.04 17.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.494 -177.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -95.55 124.43 39.57 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.095 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.451 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -67.17 -45.69 76.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.776 -175.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -69.0 -43.13 75.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.788 0.328 . . . . 0.0 110.672 -176.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.56 HD22 ' HA ' ' A' ' 124' ' ' LEU . 10.8 m120 -73.36 -23.15 60.17 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.725 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.535 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 29.2 ttm -75.85 -27.07 57.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 171.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -70.03 -42.55 72.79 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 173.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -60.76 -39.14 87.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.912 171.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.457 HD21 ' HB3' ' A' ' 27' ' ' MET . 4.0 tp -60.0 -45.8 91.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.049 176.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 108' ' ' MET . 74.5 mtt180 -60.27 -33.6 72.54 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.304 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.526 HD22 ' N ' ' A' ' 113' ' ' ASN . 0.8 OUTLIER -99.66 18.31 18.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.938 -175.298 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.699 ' HA ' HD13 ' A' ' 120' ' ' LEU . 24.1 t90 -68.93 108.8 3.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.356 0.598 . . . . 0.0 110.09 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -86.12 18.06 3.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.341 -174.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.23 47.19 24.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.449 -0.881 . . . . 0.0 111.09 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.604 HG23 ' HB2' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -120.65 142.84 49.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.923 0.392 . . . . 0.0 110.959 -175.35 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -80.64 -23.49 39.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.963 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -72.89 -26.92 69.96 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.149 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.699 HD13 ' HA ' ' A' ' 114' ' ' TRP . 2.9 tt -73.94 -20.16 60.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.232 0.539 . . . . 0.0 109.777 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.425 HD11 HD21 ' A' ' 21' ' ' LEU . 97.4 mt -63.95 -29.98 71.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.051 0.453 . . . . 0.0 110.328 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -73.75 -21.78 60.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 70.0 p -94.98 2.47 55.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.128 0.49 . . . . 0.0 110.511 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.56 ' HA ' HD22 ' A' ' 107' ' ' ASN . 81.6 mt -103.61 143.17 33.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.359 177.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -80.48 73.15 7.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.19 0.519 . . . . 0.0 109.753 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.3 mt -83.89 105.15 14.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.358 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.519 HD12 ' HG3' ' A' ' 135' ' ' GLN . 11.1 pt -109.04 175.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.819 -173.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -96.85 117.54 31.32 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.725 HD12 ' HB2' ' A' ' 99' ' ' CYS . 55.9 mt -115.49 126.64 73.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.226 0.536 . . . . 0.0 110.807 -177.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.438 ' HA ' ' O ' ' A' ' 93' ' ' PHE . 40.8 t30 -108.74 166.32 10.89 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.212 -176.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 132' ' ' LYS . 19.1 t70 60.32 -95.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.897 0.748 . . . . 0.0 111.025 173.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 1.053 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . 95.1 mttt -156.36 86.47 1.01 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.75 21.01 54.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.631 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -100.56 106.42 17.94 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.197 -0.298 . . . . 0.0 110.197 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.519 ' HG3' HD12 ' A' ' 127' ' ' ILE . 53.9 tt0 -68.67 124.15 22.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.013 0.435 . . . . 0.0 110.929 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.0 t -92.51 93.66 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.87 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.229 -177.526 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.8 p . . . . . 0 CA--C 1.527 0.079 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -58.85 -30.29 67.6 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.187 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.438 ' HB3' HD12 ' A' ' 21' ' ' LEU . 29.8 tt0 -71.09 -49.7 41.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.414 -177.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 21' ' ' LEU . 4.4 mp -81.01 -11.33 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.532 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.25 -38.57 77.14 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.516 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -60.85 -44.98 96.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 110.239 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.9 t -68.72 -42.64 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.015 -178.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.6 -38.26 90.41 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.88 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -56.51 -48.41 77.26 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 175.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.438 ' O ' HG22 ' A' ' 31' ' ' VAL . 64.9 mtt -59.62 -43.74 93.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.593 177.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -59.03 -54.11 50.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.026 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.75 -39.71 89.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.486 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.474 HG12 ' HB2' ' A' ' 36' ' ' PHE . 53.8 t -68.53 -42.54 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 27' ' ' MET . 34.4 m -77.24 -21.19 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -89.9 -21.46 22.49 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.256 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.544 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 71.7 p -95.66 168.48 10.65 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.11 1.4 11.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.168 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.415 HG22 ' CD2' ' A' ' 36' ' ' PHE . 50.4 m -60.41 -47.51 85.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.832 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.474 ' HB2' HG12 ' A' ' 30' ' ' VAL . 30.0 m-85 -142.12 22.64 2.06 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.171 -0.211 . . . . 0.0 111.519 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 33' ' ' SER . 37.7 ttpt -61.27 -22.78 65.16 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.059 0.457 . . . . 0.0 110.765 177.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.83 -35.93 77.42 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.016 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -116.59 93.93 41.93 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -68.36 -21.25 41.31 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.799 2.332 . . . . 0.0 112.132 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 105' ' ' ALA . 20.3 mm -119.17 153.59 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.561 ' HB3' ' HB2' ' A' ' 46' ' ' HIS . 76.1 m-85 -130.2 -165.51 1.55 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.884 0.374 . . . . 0.0 110.943 -178.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -129.39 168.48 16.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -60.29 -26.09 66.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.687 0.28 . . . . 0.0 110.999 176.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.16 73.35 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.617 0.246 . . . . 0.0 110.647 173.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.593 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 78.5 m-70 -76.23 -19.36 58.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.991 178.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.2 m -66.86 -55.0 16.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 169.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -48.94 -52.61 23.72 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.162 172.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.593 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 28.3 mt-10 -50.6 -61.51 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.213 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -72.95 -41.54 64.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 -173.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.76 -47.67 85.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.773 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -65.74 -35.52 80.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.646 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.2 p -73.06 -33.7 65.82 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.857 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -66.11 -34.59 78.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.032 0.444 . . . . 0.0 109.814 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 78.0 mt -72.9 -48.68 43.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.771 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -64.97 -17.44 64.4 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.188 -176.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.3 ttt-85 -56.24 -30.89 62.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.292 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -63.54 -27.91 69.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.552 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.7 -21.46 64.5 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.279 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.4 m -67.94 -34.42 76.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.133 0.492 . . . . 0.0 110.588 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -87.52 -18.34 30.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.285 0.564 . . . . 0.0 109.797 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.418 ' HB2' HD11 ' A' ' 82' ' ' LEU . 56.6 tp -74.79 -31.51 61.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.916 173.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.66 -31.33 72.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.694 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -59.39 -40.02 85.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.149 0.5 . . . . 0.0 110.005 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.399 -179.86 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo . . . . . 0 N--CA 1.454 -0.829 0 CA-C-O 120.713 0.214 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 80' ' ' VAL . 23.8 p -87.63 -75.48 0.41 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.766 0.317 . . . . 0.0 110.733 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -66.85 -32.98 74.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.335 -175.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.6 mmm-85 -65.16 -38.25 89.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.072 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -79.02 -39.86 32.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.725 -176.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.483 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 95.8 t -64.41 -51.13 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.541 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.21 -36.98 78.91 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.418 HD11 ' HB2' ' A' ' 62' ' ' LEU . 1.2 tm? -57.52 -57.27 13.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.519 176.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -60.2 -35.86 76.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.411 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 99.1 mt-30 -61.85 -51.02 69.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.692 -178.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 3.5 ttp180 -70.27 -36.33 74.36 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -177.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 86' ' ' ARG . 37.3 ttt-85 -56.89 -50.61 71.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.457 0.646 . . . . 0.0 109.965 175.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.513 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 25.1 t0 -63.59 -32.77 74.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.513 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -65.46 -39.97 92.63 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.821 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 69.9 mm-40 -55.47 -47.4 76.17 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.138 0.494 . . . . 0.0 110.001 177.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 90' ' ' LEU . 4.0 mm? -61.45 -45.86 92.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.364 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 60.0 mttm -60.76 -40.66 93.32 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.784 -179.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.482 ' HG2' ' HB2' ' A' ' 97' ' ' PHE . 42.2 tt0 -60.33 -49.28 78.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.146 -177.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -83.5 -5.15 59.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.062 0.458 . . . . 0.0 110.619 -177.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -86.85 -36.53 18.42 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.29 -31.39 54.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.538 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.2 88.53 1.08 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.834 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.482 ' HB2' ' HG2' ' A' ' 92' ' ' GLU . 53.2 t80 -80.34 151.82 29.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.83 0.347 . . . . 0.0 110.641 -177.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.576 ' HG ' ' HB3' ' A' ' 126' ' ' LEU . 13.4 tp -70.54 100.67 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.16 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.559 ' HB2' HD12 ' A' ' 129' ' ' ILE . 36.7 m -126.55 148.11 63.13 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.186 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.75 154.42 30.44 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.326 2.017 . . . . 0.0 112.217 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -80.28 125.72 30.23 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.551 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 41.5 mt -89.68 0.55 56.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -172.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 64.3 p -102.57 -2.89 27.6 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.834 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -94.57 109.06 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.45 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -66.68 -23.78 66.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.116 -174.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -67.4 -51.39 52.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.294 0.569 . . . . 0.0 109.628 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.58 ' HA ' ' HD2' ' A' ' 110' ' ' PHE . 27.2 m-80 -68.59 -34.23 75.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.25 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 92.3 mmm -64.28 -29.76 70.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.854 0.359 . . . . 0.0 110.302 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -71.06 -43.95 66.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.981 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.58 ' HD2' ' HA ' ' A' ' 107' ' ' ASN . 40.6 m-85 -60.82 -38.91 87.03 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.058 0.456 . . . . 0.0 109.986 175.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -39.52 94.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.001 177.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.2 mtp85 -65.78 -37.84 87.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.036 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -94.73 18.88 10.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.043 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.48 ' HA ' HD13 ' A' ' 120' ' ' LEU . 25.7 t90 -73.8 114.95 12.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.864 0.364 . . . . 0.0 110.463 -177.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -104.09 29.35 6.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.359 0.599 . . . . 0.0 110.474 -176.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 76.2 15.88 81.11 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.121 -175.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.548 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 2.6 m -73.29 122.32 21.79 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.919 -0.641 . . . . 0.0 110.949 -176.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -69.42 -36.55 76.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.882 0.372 . . . . 0.0 110.029 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.73 -29.98 71.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.855 175.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.548 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 10.9 mt -67.4 -21.29 65.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.762 0.315 . . . . 0.0 111.245 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.43 HD11 ' HG ' ' A' ' 21' ' ' LEU . 88.0 mt -75.22 -20.37 59.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.294 0.569 . . . . 0.0 110.025 177.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -91.75 -21.62 20.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.235 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.427 ' OG1' ' HA ' ' A' ' 120' ' ' LEU . 43.4 p -83.12 -23.35 33.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.081 0.467 . . . . 0.0 110.278 175.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 52.2 mt -78.91 136.11 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.849 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -74.78 68.77 1.75 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.451 0.643 . . . . 0.0 109.693 173.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.576 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . 49.1 mt -80.93 111.76 17.7 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.392 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 98' ' ' LEU . 31.3 pt -107.03 -178.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.685 -176.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.604 ' CB ' ' HB ' ' A' ' 136' ' ' VAL . 51.8 mtt180 -96.9 119.82 36.08 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.187 174.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' A' ' 99' ' ' CYS . 66.3 mt -119.91 134.24 64.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.13 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -126.24 152.6 45.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.871 0.367 . . . . 0.0 111.643 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.3 t70 66.16 -71.18 0.09 Allowed 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.844 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -122.93 -80.97 0.63 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.2 0.524 . . . . 0.0 109.728 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.13 38.76 1.23 Allowed Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' A' ' 129' ' ' ILE . 5.2 mm-40 -85.27 151.57 23.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.7 -170.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -91.45 112.33 24.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 -175.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.604 ' HB ' ' CB ' ' A' ' 128' ' ' ARG . 21.7 t -91.78 121.72 42.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 171.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.452 -178.613 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.6 t . . . . . 0 C--O 1.227 -0.118 0 CA-C-O 120.983 0.42 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.07 -16.15 63.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.885 0.374 . . . . 0.0 110.374 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.518 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 16.5 mt-10 -108.63 -66.51 1.04 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.696 -175.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.93 -21.89 65.96 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -172.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.15 -17.69 64.88 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 13.1 mmt180 -63.37 -46.49 86.26 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.7 t -70.15 -35.66 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.174 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 76.9 tttt -61.74 -41.5 97.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.693 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.461 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 86.3 t80 -60.39 -48.15 83.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.915 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.505 ' O ' HG22 ' A' ' 31' ' ' VAL . 63.7 mtt -54.49 -48.71 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.487 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -60.67 -52.96 62.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.272 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -63.22 -42.58 99.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.478 -174.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.5 -39.29 85.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.917 HG23 ' HG3' ' A' ' 112' ' ' ARG . 27.3 m -87.4 -9.83 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 111.304 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 27.1 t-20 -92.94 -34.04 13.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.048 0.451 . . . . 0.0 110.293 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.9 p -85.01 166.5 16.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.75 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.53 1.58 3.91 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -178.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 m -52.86 -51.94 59.18 Favored 'General case' 0 N--CA 1.452 -0.375 0 O-C-N 123.571 0.544 . . . . 0.0 109.733 172.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -141.22 22.87 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.558 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 32' ' ' ASN . 28.4 ttpp -76.4 66.78 2.51 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 122.254 1.026 . . . . 0.0 109.047 173.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.02 -33.91 0.02 OUTLIER Glycine 0 C--N 1.311 -0.827 0 CA-C-N 113.347 -1.751 . . . . 0.0 109.779 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 14.9 mm100 -83.48 122.81 77.08 Favored Pre-proline 0 N--CA 1.452 -0.366 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 39' ' ' GLN . 26.8 Cg_exo -61.57 -71.94 0.03 OUTLIER 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.669 2.246 . . . . 0.0 112.936 -175.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.543 ' CD1' ' HA ' ' A' ' 105' ' ' ALA . 45.7 mm -127.76 157.32 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -176.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -110.03 -171.97 1.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.281 0.563 . . . . 0.0 111.816 -176.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -132.7 -167.77 1.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.777 -174.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.587 ' O ' ' HB ' ' A' ' 47' ' ' THR . 10.6 m170 -86.85 -24.12 25.05 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.446 -175.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' A' ' 48' ' ' ARG . . . -68.78 -43.82 74.91 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.226 0.536 . . . . 0.0 109.626 174.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 66.8 m80 -73.26 -14.78 61.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.196 175.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.587 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 51.5 m -68.02 -61.15 1.99 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.917 171.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 5.3 ptp180 -57.24 -35.43 69.71 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.386 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.481 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 18.4 mt-10 -55.53 -59.93 4.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.202 176.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.461 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 13.6 m-85 -72.69 -42.29 64.39 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -176.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 51' ' ' ILE . 10.5 mm -60.72 -51.22 75.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.582 -178.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.78 -30.26 65.35 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.4 -175.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -63.34 -34.52 77.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.03 0.443 . . . . 0.0 110.163 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -67.93 -35.16 77.95 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.8 mt -69.67 -36.17 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 121.466 0.65 . . . . 0.0 109.926 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.03 -26.74 68.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.909 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -46.74 -40.64 13.82 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.178 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.416 ' HB3' ' HB2' ' A' ' 86' ' ' ARG . 19.7 t70 -55.79 -42.68 75.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.029 0.442 . . . . 0.0 110.939 -177.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -66.73 -29.63 69.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.728 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.496 ' HA ' ' OD2' ' A' ' 63' ' ' ASP . 22.0 m -74.99 -33.13 61.81 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.159 0.504 . . . . 0.0 110.74 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -75.01 -30.15 61.04 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 172.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.533 HD11 ' HG3' ' A' ' 79' ' ' GLN . 38.7 tp -70.26 -25.85 63.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.45 176.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.496 ' OD2' ' HA ' ' A' ' 60' ' ' THR . 28.6 m-20 -59.05 -35.86 74.04 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.862 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -60.12 -38.0 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.558 175.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.514 HD12 HD12 ' A' ' 62' ' ' LEU . 84.7 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 120.622 0.249 . . . . 0.0 110.674 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.445 ' HG2' ' HB3' ' A' ' 65' ' ' LEU . 29.4 Cg_exo . . . . . 0 CA--C 1.528 0.195 0 CA-C-O 120.576 0.157 . . . . 0.0 112.395 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.9 t 52.47 -95.01 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.699 0.8 . . . . 0.0 112.407 175.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -61.93 -40.15 94.5 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.825 0.345 . . . . 0.0 110.765 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -63.75 -32.57 74.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.165 0.507 . . . . 0.0 110.233 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.533 ' HG3' HD11 ' A' ' 62' ' ' LEU . 49.8 tt0 -76.73 -45.26 29.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.456 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.525 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 74.4 t -63.95 -45.38 97.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.555 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.78 -40.71 89.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.61 HD12 ' HD2' ' A' ' 85' ' ' ARG . 55.0 tp -69.84 -44.76 69.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.375 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.457 ' HA ' HH12 ' A' ' 86' ' ' ARG . 48.2 tt0 -53.04 -35.54 59.61 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.193 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 95.6 mt-30 -65.49 -26.48 67.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.154 -177.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.61 ' HD2' HD12 ' A' ' 82' ' ' LEU . 75.5 mtt180 -60.26 -52.03 67.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.099 0.476 . . . . 0.0 109.939 178.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.72 HH11 ' HB3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -65.55 -41.0 93.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.724 177.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -62.9 -40.73 98.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.114 0.483 . . . . 0.0 110.359 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -64.79 -38.41 90.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.409 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.472 ' O ' ' HD1' ' A' ' 93' ' ' PHE . 45.4 mt-10 -65.37 -42.45 92.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.237 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.429 HD23 ' HG2' ' A' ' 86' ' ' ARG . 3.7 mm? -55.24 -41.65 72.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.789 0.328 . . . . 0.0 110.561 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -70.32 -46.98 63.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.51 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -58.73 -51.9 67.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.937 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.5 ' O ' ' HA ' ' A' ' 130' ' ' ASN . 42.3 m-85 -68.82 -28.46 66.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.644 -177.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -65.58 -33.65 76.41 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.297 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.94 2.52 38.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.97 98.62 1.44 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.233 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -82.94 153.02 25.26 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.4 tp -71.71 101.3 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.955 0.407 . . . . 0.0 110.119 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.471 ' HB2' HD12 ' A' ' 129' ' ' ILE . 85.1 m -128.29 147.79 65.12 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.907 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -75.99 154.29 37.82 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.068 1.845 . . . . 0.0 112.42 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.24 99.7 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 173.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.8 tp -83.23 -1.53 53.34 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.988 -173.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.9 m -113.06 15.9 19.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.514 -176.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -113.99 138.41 50.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.349 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.543 ' HA ' ' CD1' ' A' ' 41' ' ' ILE . . . -76.57 -31.37 57.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.308 -0.405 . . . . 0.0 112.082 -174.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -76.48 -47.31 23.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.001 0.429 . . . . 0.0 109.954 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -59.01 -45.73 89.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.538 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.526 ' HA ' ' HB3' ' A' ' 111' ' ' LEU . 41.6 ttm -69.02 -21.92 64.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -69.68 -40.56 76.31 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.047 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.404 ' HB3' HD21 ' A' ' 120' ' ' LEU . 34.9 m-85 -68.27 -43.42 77.82 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 172.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.526 ' HB3' ' HA ' ' A' ' 108' ' ' MET . 9.5 tt -56.61 -42.79 79.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.432 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.917 ' HG3' HG23 ' A' ' 31' ' ' VAL . 15.9 ttm-85 -69.37 -13.92 62.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 111.158 -176.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -116.96 11.89 14.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.187 0.517 . . . . 0.0 110.516 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.476 ' CZ2' ' HA2' ' A' ' 116' ' ' GLY . 70.5 t90 -69.0 110.01 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.369 178.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -92.75 28.09 2.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.956 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.476 ' HA2' ' CZ2' ' A' ' 114' ' ' TRP . . . 81.25 14.62 78.51 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.375 -0.917 . . . . 0.0 110.98 -174.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.741 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 2.0 m -67.62 113.5 5.48 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.263 -0.469 . . . . 0.0 110.624 -178.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -65.73 -43.17 89.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.27 -24.37 73.48 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.483 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.741 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 4.9 tt -64.7 -24.17 67.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.048 0.451 . . . . 0.0 109.935 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.474 HD23 HD12 ' A' ' 124' ' ' LEU . 96.2 mt -61.13 -22.15 64.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.396 . . . . 0.0 110.956 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -77.9 -20.72 52.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.757 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 34.8 p -89.67 -13.89 35.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.264 0.554 . . . . 0.0 109.812 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.474 HD12 HD23 ' A' ' 121' ' ' LEU . 82.3 mt -86.89 140.65 29.43 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.006 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -81.06 84.54 6.47 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.716 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 35.0 mt -96.17 124.5 40.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.178 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 17.5 pt -126.31 -176.53 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.1 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 128' ' ' ARG . 20.9 mtp180 -96.65 118.49 33.23 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.471 HD12 ' HB2' ' A' ' 99' ' ' CYS . 48.2 mt -119.4 128.02 75.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 121.065 0.46 . . . . 0.0 110.349 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 1.015 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 21.9 t-20 -68.91 152.77 44.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.908 177.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.536 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 1.8 t70 -33.37 -43.48 0.12 Allowed 'General case' 0 N--CA 1.475 0.798 0 O-C-N 124.694 1.247 . . . . 0.0 113.666 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.536 ' HG3' ' OD2' ' A' ' 131' ' ' ASP . 50.3 mttp -97.45 37.05 1.39 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.963 0.411 . . . . 0.0 111.909 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 63.88 36.6 93.5 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.333 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 1.015 ' HB2' ' HB3' ' A' ' 130' ' ' ASN . 71.3 mm-40 -99.1 137.48 37.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.818 0.342 . . . . 0.0 111.317 -176.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -66.41 119.1 11.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.759 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 37.5 t -121.99 124.31 71.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.947 0.403 . . . . 0.0 110.992 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 C--N 1.322 -0.604 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 170.326 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.931 0.396 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -56.0 -38.52 70.57 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.396 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -94.03 -60.18 1.8 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.032 -175.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.3 mt -69.05 -31.85 70.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.563 -168.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.34 -31.13 68.29 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.982 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.69 ' HD3' HD12 ' A' ' 51' ' ' ILE . 83.8 mtt180 -65.09 -41.37 95.07 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.44 -42.56 84.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.527 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 11.4 tmtt? -58.16 -45.31 87.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.642 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -56.56 -45.82 81.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.455 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.634 ' SD ' HD21 ' A' ' 102' ' ' LEU . 63.0 mtt -62.75 -49.97 72.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 178.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 111' ' ' LEU . 35.1 tt0 -53.33 -48.2 68.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.299 0.571 . . . . 0.0 110.418 177.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.55 -52.93 63.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.813 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.496 HG13 ' HB2' ' A' ' 36' ' ' PHE . 54.9 t -58.25 -42.42 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.2 t -71.0 -32.73 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.091 0.472 . . . . 0.0 111.411 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -103.16 7.81 38.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.547 -174.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.654 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 35.5 t -122.82 148.05 45.84 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -63.4 1.69 0.5 Allowed 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.5 m -56.6 -54.13 49.61 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.682 0.277 . . . . 0.0 110.725 175.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.496 ' HB2' HG13 ' A' ' 30' ' ' VAL . 71.2 m-85 -141.16 29.22 1.84 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.037 0.446 . . . . 0.0 110.116 176.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.654 ' HB2' ' O ' ' A' ' 33' ' ' SER . 61.0 tttm -66.74 -11.8 56.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.393 -175.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.77 -18.52 72.38 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.557 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -116.34 94.42 42.52 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.7 -29.01 36.6 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.825 2.35 . . . . 0.0 112.41 -177.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.474 HD13 ' HG3' ' A' ' 108' ' ' MET . 21.6 mm -122.08 136.9 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.032 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -114.16 156.35 24.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.056 0.455 . . . . 0.0 110.599 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -93.12 179.39 5.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.463 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.564 ' O ' ' HB ' ' A' ' 47' ' ' THR . 18.3 m-70 -77.05 -24.09 52.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.885 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.64 -39.47 52.21 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -64.98 -23.63 67.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.466 172.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.564 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 99.9 m -61.24 -57.51 12.1 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 171.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.476 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 20.2 ttt180 -55.83 -40.23 72.51 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.335 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.14 -58.44 8.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.277 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -65.94 -36.32 83.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.872 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.69 HD12 ' HD3' ' A' ' 23' ' ' ARG . 23.2 mm -62.99 -46.65 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.987 176.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -64.38 -36.47 84.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.724 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 34.9 t -56.68 -46.39 81.18 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.023 0.439 . . . . 0.0 110.307 177.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -61.86 -44.77 96.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.675 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.674 HG22 ' HE ' ' A' ' 86' ' ' ARG . 36.4 mt -69.62 -33.68 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.69 -30.76 69.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.927 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 53' ' ' SER . 66.3 mtt-85 -78.07 -17.12 57.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.668 -177.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.14 -38.24 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 172.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.411 ' HB2' ' HD2' ' A' ' 86' ' ' ARG . 17.7 t70 -67.27 -20.43 65.64 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.252 177.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.41 ' OG1' ' HA ' ' A' ' 57' ' ' ARG . 24.5 m -64.29 -29.55 70.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.48 177.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -83.81 -29.75 27.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.542 0.687 . . . . 0.0 109.155 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 37.3 tp -67.34 -48.12 68.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.584 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.73 -21.07 61.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -61.94 -41.42 97.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 174.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.7 mt . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.001 174.631 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.887 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 37.0 Cg_exo . . . . . 0 C--O 1.233 0.255 0 CA-C-O 120.717 0.215 . . . . 0.0 111.794 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.0 p -59.17 -31.74 69.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.842 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -86.98 -51.58 5.94 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.856 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.887 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 82.7 mtt180 -59.08 -43.29 91.8 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.2 -47.14 85.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 0.0 110.554 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.44 -43.05 87.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.629 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.9 tp -63.09 -42.48 99.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.705 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.4 tp -67.2 -41.18 86.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.917 0.389 . . . . 0.0 110.221 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -57.96 -48.93 78.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.914 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -71.95 -24.63 61.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.995 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.6 ttp85 -65.94 -46.95 76.3 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.674 ' HE ' HG22 ' A' ' 55' ' ' ILE . 60.3 ttt180 -67.94 -34.61 76.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.854 176.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -55.73 -47.91 76.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.274 175.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -63.89 -43.33 96.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.475 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -57.34 -45.14 84.63 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.304 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.37 -47.56 70.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.072 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.23 -36.71 82.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.861 0.362 . . . . 0.0 110.656 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.32 -40.51 89.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.302 0.572 . . . . 0.0 109.906 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.445 ' CE1' HG21 ' A' ' 51' ' ' ILE . 33.0 t80 -72.57 -28.19 62.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.817 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -74.96 -37.89 61.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.593 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.28 -39.79 28.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.016 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 145.43 112.24 0.77 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.804 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -116.58 154.49 30.39 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.17 -0.308 . . . . 0.0 110.17 -178.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.1 tp -70.12 98.96 1.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.349 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.514 ' HB2' HD12 ' A' ' 129' ' ' ILE . 38.6 m -128.15 141.61 41.85 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.703 ' HA ' ' HA ' ' A' ' 126' ' ' LEU . 64.1 Cg_endo -75.29 147.33 32.71 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.246 1.964 . . . . 0.0 112.853 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -71.02 114.68 9.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.27 176.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.634 HD21 ' SD ' ' A' ' 27' ' ' MET . 44.0 mt -87.19 -16.83 34.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.807 -177.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.7 p -89.16 21.77 3.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.281 0.562 . . . . 0.0 111.152 -172.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -127.52 125.87 41.18 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.547 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.58 -28.06 62.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.002 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 32.2 mttp -69.8 -36.59 75.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.528 ' OD1' HD23 ' A' ' 124' ' ' LEU . 52.1 t30 -71.74 -37.52 70.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.406 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.529 ' SD ' HD12 ' A' ' 111' ' ' LEU . 20.0 mmt -60.45 -32.89 71.81 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.895 0.378 . . . . 0.0 110.502 173.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.491 ' HB3' ' O ' ' A' ' 106' ' ' LYS . 38.4 tt0 -59.35 -48.28 82.22 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.479 ' HB3' ' HG ' ' A' ' 124' ' ' LEU . 59.3 m-85 -59.26 -33.6 71.24 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.514 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.529 HD12 ' SD ' ' A' ' 108' ' ' MET . 19.6 mt -63.11 -32.97 74.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.95 0.405 . . . . 0.0 110.794 175.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -80.91 -1.81 45.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.399 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -105.48 -30.48 9.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.768 0.318 . . . . 0.0 110.693 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.723 ' HA ' HD13 ' A' ' 120' ' ' LEU . 26.6 t90 -64.97 127.31 31.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.164 0.507 . . . . 0.0 110.751 -178.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -126.92 9.99 6.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.569 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 119.96 -14.72 10.4 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.351 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.2 m -57.31 123.66 16.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 111.064 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.544 ' HA ' HD23 ' A' ' 121' ' ' LEU . 85.6 m-85 -71.51 -33.35 69.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.529 -174.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.26 -18.34 69.23 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.546 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.723 HD13 ' HA ' ' A' ' 114' ' ' TRP . 2.3 tt -79.08 -11.61 59.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.087 0.47 . . . . 0.0 110.105 -177.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 118' ' ' PHE . 3.8 mm? -75.57 -5.55 45.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.212 0.529 . . . . 0.0 110.431 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -99.92 -23.2 15.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.98 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 81.7 p -87.32 -33.36 19.23 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.445 0.64 . . . . 0.0 109.42 176.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.528 HD23 ' OD1' ' A' ' 107' ' ' ASN . 0.7 OUTLIER -70.88 131.98 44.57 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.423 169.399 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 100' ' ' PRO . 14.0 mtm180 -79.34 80.16 5.73 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.05 -177.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.703 ' HA ' ' HA ' ' A' ' 100' ' ' PRO . 8.8 mp -94.87 117.09 29.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 171.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.648 HG13 HG13 ' A' ' 129' ' ' ILE . 29.3 pt -112.63 -171.2 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.384 -177.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 128' ' ' ARG . 29.1 mtm-85 -96.74 103.6 15.53 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.648 HG13 HG13 ' A' ' 127' ' ' ILE . 35.6 mt -113.92 130.93 67.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.146 -174.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -118.63 144.11 46.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.263 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 46.04 -104.29 0.09 Allowed 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.476 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 39.4 tttm -86.53 50.53 2.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.556 0.693 . . . . 0.0 111.13 -169.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.46 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 62.29 25.89 67.18 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.961 175.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -94.56 137.04 34.17 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.013 0.406 . . . . 0.0 110.34 -174.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -77.32 125.38 29.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.198 0.523 . . . . 0.0 110.219 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 17.3 t -82.89 102.23 8.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.245 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 178.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.413 HG12 ' HB2' ' A' ' 22' ' ' ALA . 25.8 t . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 121.532 0.682 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -58.5 -38.95 78.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.704 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -85.44 -51.85 6.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.562 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.13 -35.66 81.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.347 -172.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.413 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -60.9 -32.27 71.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.838 0.351 . . . . 0.0 111.466 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -77.03 -27.53 54.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.507 -177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.68 -40.46 84.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.949 174.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.685 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 15.7 tttm -72.15 -28.97 63.59 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.617 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.481 ' O ' HG23 ' A' ' 30' ' ' VAL . 85.8 t80 -61.77 -48.04 82.47 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 174.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.686 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.7 mtt -56.13 -48.33 76.44 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 174.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.539 ' HG3' ' HA ' ' A' ' 112' ' ' ARG . 31.4 tt0 -50.71 -56.81 10.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.39 177.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -45.96 82.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.171 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.592 HG12 ' HB2' ' A' ' 36' ' ' PHE . 94.2 t -63.93 -44.64 98.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -177.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 27' ' ' MET . 12.4 t -75.01 -31.8 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.105 0.479 . . . . 0.0 111.186 -177.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -86.38 -29.79 22.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.964 0.412 . . . . 0.0 111.027 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 40.7 t -85.67 164.75 17.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.057 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.4 -5.82 12.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.052 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.2 m -50.45 -53.08 32.29 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.836 176.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.592 ' HB2' HG12 ' A' ' 30' ' ' VAL . 14.9 m-85 -142.79 23.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.785 177.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' ' 33' ' ' SER . 7.2 ttpm? -65.65 -12.15 50.98 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.19 0.519 . . . . 0.0 110.437 178.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.94 -22.05 76.97 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.764 173.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -116.56 109.92 43.19 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.99 -45.74 30.29 Favored 'Trans proline' 0 N--CA 1.471 0.174 0 C-N-CA 122.813 2.342 . . . . 0.0 113.228 -175.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.597 HD11 ' HA ' ' A' ' 105' ' ' ALA . 16.8 mt -137.84 151.64 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -178.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -95.07 -179.52 4.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.595 0.712 . . . . 0.0 112.054 -174.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.478 ' H ' ' HB2' ' A' ' 46' ' ' HIS . 2.2 m-20 -95.24 166.11 12.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.814 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.497 ' O ' ' HB ' ' A' ' 47' ' ' THR . 11.5 m-70 -71.95 -29.61 64.45 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 171.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.89 -27.14 66.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.498 172.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.478 ' HB2' ' H ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -79.35 -21.88 45.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.109 176.188 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.497 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 97.4 m -60.57 -60.24 4.12 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 172.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.783 HH11 ' HB3' ' A' ' 132' ' ' LYS . 19.2 ptt180 -60.45 -32.15 71.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.607 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.39 -56.26 22.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.244 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -69.52 -49.99 49.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.983 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.9 mm -62.31 -48.44 88.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.568 -174.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -69.53 -42.52 74.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.201 -176.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.2 m -60.99 -33.58 73.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.748 0.309 . . . . 0.0 110.949 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -65.9 -37.22 85.52 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.45 ' HA ' ' OE2' ' A' ' 89' ' ' GLU . 69.4 mt -69.52 -42.43 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.354 0.597 . . . . 0.0 110.284 175.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.44 -18.68 65.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.611 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 57' ' ' ARG . 10.3 ttt180 -63.1 -23.8 67.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.666 0.269 . . . . 0.0 110.96 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.461 ' CG ' HH21 ' A' ' 85' ' ' ARG . 21.7 t0 -63.47 -22.13 66.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.253 0.549 . . . . 0.0 110.035 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.11 -25.34 62.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.012 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.6 m -78.26 -36.17 47.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.173 176.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.5 -35.3 75.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.49 HD11 ' HG3' ' A' ' 79' ' ' GLN . 59.5 tp -69.72 -27.31 64.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.517 174.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.72 -29.2 70.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.326 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -59.91 -37.78 80.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.943 173.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.404 HD22 ' HG2' ' A' ' 75' ' ' PRO . 90.3 mt . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.36 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.404 ' HG2' HD22 ' A' ' 65' ' ' LEU . 23.5 Cg_exo . . . . . 0 CA--C 1.529 0.251 0 N-CA-C 111.439 -0.254 . . . . 0.0 111.439 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.1 m -48.66 -48.49 39.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.532 -173.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -89.51 -46.06 8.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.45 -27.43 65.24 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -172.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.49 ' HG3' HD11 ' A' ' 62' ' ' LEU . 53.1 tt0 -71.96 -39.7 69.17 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.72 -35.65 66.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.903 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.32 -42.89 99.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.274 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 1.2 tm? -58.19 -49.65 76.31 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 174.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -58.24 -39.93 80.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.125 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.26 -29.05 65.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.298 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.461 HH21 ' CG ' ' A' ' 58' ' ' ASP . 3.5 tmm_? -68.1 -49.4 61.45 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 174.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -53.7 -42.87 68.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.225 174.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.33 -48.67 72.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.274 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.723 ' HA ' ' HD2' ' A' ' 91' ' ' LYS . 48.9 tt0 -61.77 -36.35 80.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.411 . . . . 0.0 110.869 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.45 ' OE2' ' HA ' ' A' ' 55' ' ' ILE . 22.1 tt0 -65.65 -44.46 86.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.5 178.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -64.9 -26.95 68.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.256 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.723 ' HD2' ' HA ' ' A' ' 88' ' ' GLN . 62.4 mttt -65.51 -52.5 52.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.645 174.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.51 -37.48 87.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.785 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.82 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 49.2 t80 -66.72 -53.06 37.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.144 177.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.748 ' HA ' ' OD1' ' A' ' 130' ' ' ASN . 1.2 ttpm? -81.64 10.55 5.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.687 -171.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -109.5 10.77 25.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.226 0.536 . . . . 0.0 109.842 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.13 80.28 1.49 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.314 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.82 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 60.7 t80 -75.62 145.34 41.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.804 0.335 . . . . 0.0 110.688 -175.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.7 tp -74.37 96.09 2.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.929 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 52.4 t -128.51 142.84 46.1 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.494 -175.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.77 149.97 89.62 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.314 2.01 . . . . 0.0 111.022 172.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.31 -28.67 69.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.366 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.458 HD21 ' SD ' ' A' ' 27' ' ' MET . 81.7 mt 56.53 36.97 28.41 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.115 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.2 m -135.27 -33.48 0.9 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.665 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.66 131.69 35.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.707 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.597 ' HA ' HD11 ' A' ' 41' ' ' ILE . . . -72.85 -34.61 66.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.208 -175.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -75.42 -33.76 60.97 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.783 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -64.76 -35.88 82.49 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 170.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -36.22 83.13 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.022 175.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 105' ' ' ALA . 43.2 mm-40 -64.58 -54.84 25.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.381 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -58.9 -32.71 69.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.472 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.87 -43.87 97.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.441 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.539 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 66.4 mtm180 -75.91 -18.72 59.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.46 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.47 18.24 22.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.981 0.419 . . . . 0.0 111.184 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.685 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 60.7 t90 -81.03 103.13 10.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.254 0.55 . . . . 0.0 110.458 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -88.64 10.18 21.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.705 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 109.7 -5.51 31.07 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.047 176.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.867 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 6.3 m -60.79 127.0 29.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.709 0.29 . . . . 0.0 111.31 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -70.82 -37.43 73.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.327 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -69.07 -15.67 69.88 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.535 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.867 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 3.3 tt -71.76 -25.68 62.14 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.76 -20.28 66.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.399 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -76.67 -17.77 58.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.656 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 42.6 p -94.16 -8.36 39.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.462 0.649 . . . . 0.0 109.971 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 64.5 mt -98.31 130.48 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.287 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.4 mtt85 -78.5 78.74 4.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.918 0.866 . . . . 0.0 110.098 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 35.4 mt -89.14 107.03 18.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.169 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.521 HD12 ' HG3' ' A' ' 135' ' ' GLN . 18.4 pt -106.95 -176.2 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.832 -174.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -96.77 111.05 23.39 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.855 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 48.6 mt -116.01 133.89 61.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.748 ' OD1' ' HA ' ' A' ' 94' ' ' LYS . 60.0 t30 -137.68 162.4 33.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.985 0.421 . . . . 0.0 111.42 -174.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.8 t70 70.87 -87.35 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 114.464 -1.244 . . . . 0.0 112.18 170.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.783 ' HB3' HH11 ' A' ' 48' ' ' ARG . 9.0 mtmp? -135.57 22.79 3.4 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.659 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 109.92 30.72 3.35 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.252 -0.975 . . . . 0.0 113.38 172.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -106.58 144.75 32.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.998 0.428 . . . . 0.0 110.901 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.521 ' HG3' HD12 ' A' ' 127' ' ' ILE . 53.8 tt0 -78.08 120.25 22.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.841 -176.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.6 t -96.8 107.62 20.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.883 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.749 179.719 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.504 ' HA ' ' HB2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.513 0 N-CA-C 111.348 0.129 . . . . 0.0 111.348 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -83.68 -26.74 29.56 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 173.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -84.79 -37.59 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 172.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 84.8 mt -67.69 -27.84 67.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.899 174.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 18' ' ' VAL . . . -62.11 -21.99 65.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.291 176.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -69.91 -37.66 76.03 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.9 t -68.63 -39.36 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.566 173.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -65.3 -33.54 76.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.823 177.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.447 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.5 t80 -59.54 -45.59 91.35 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.646 ' O ' HG23 ' A' ' 31' ' ' VAL . 61.3 mtt -57.49 -47.9 80.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.688 174.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -52.61 -54.09 37.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.051 176.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.09 -47.48 71.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.558 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.517 HG12 ' HB2' ' A' ' 36' ' ' PHE . 77.4 t -62.72 -42.28 95.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 -177.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 27' ' ' MET . 11.8 t -72.22 -15.86 18.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 121.257 0.551 . . . . 0.0 110.63 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -105.04 -1.58 25.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.744 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 t -105.1 164.89 11.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.082 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -65.7 -20.76 66.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.704 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 m -47.78 -48.72 30.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.517 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.517 ' HB2' HG12 ' A' ' 30' ' ' VAL . 22.7 m-85 -141.3 38.37 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.062 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -58.11 -12.36 3.4 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.03 -22.31 39.01 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.83 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -116.65 107.22 46.95 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.917 0.359 . . . . 0.0 111.409 -178.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.48 -28.57 10.04 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.579 2.186 . . . . 0.0 111.302 174.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 105' ' ' ALA . 14.2 mm -121.92 150.73 25.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.426 -178.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.798 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 67.5 m-85 -122.05 -169.89 1.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.164 0.507 . . . . 0.0 111.324 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -122.7 163.79 19.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.296 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.869 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 50.6 m170 -61.38 -23.56 65.87 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.85 74.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.203 0.525 . . . . 0.0 110.19 173.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.466 ' HA ' ' HB3' ' A' ' 49' ' ' GLU . 89.8 m-70 -81.69 -16.48 51.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.082 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.525 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 56.0 m -60.85 -59.18 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 171.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.556 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 23.2 ttt180 -57.98 -39.22 77.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.2 177.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 46' ' ' HIS . 41.8 tt0 -53.46 -55.27 26.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.651 176.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -68.68 -44.77 73.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.758 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 47' ' ' THR . 42.3 mm -62.73 -48.66 87.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.147 -177.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -65.53 -35.44 80.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.843 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.5 m -63.12 -35.66 81.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 110.993 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -72.02 -35.51 69.43 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.504 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 71.0 mt -68.05 -36.27 74.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.15 0.5 . . . . 0.0 110.189 176.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -69.32 -23.01 63.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.416 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -65.76 -12.24 52.35 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.507 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.504 ' HB3' ' O ' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -57.3 -46.08 83.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.984 170.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.466 ' HA ' ' HB3' ' A' ' 62' ' ' LEU . 5.9 t70 -68.23 -21.95 64.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.104 -177.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.6 m -65.72 -47.72 74.41 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.339 175.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.43 -33.83 63.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.073 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 59' ' ' ASP . 54.8 tp -65.43 -31.46 72.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.405 176.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -64.91 -36.69 85.17 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.444 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -62.26 -40.88 97.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.275 175.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' ' 79' ' ' GLN . 80.6 mt . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.74 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.495 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 12.7 Cg_exo . . . . . 0 N--CA 1.457 -0.637 0 N-CA-C 111.313 -0.303 . . . . 0.0 111.313 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.7 t -54.65 -43.46 72.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.961 0.41 . . . . 0.0 110.544 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -66.34 -23.48 66.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.817 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.495 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 17.3 mtm180 -98.61 -45.78 5.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 111.188 -179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.522 ' HA ' HD13 ' A' ' 65' ' ' LEU . 51.8 tt0 -69.86 -37.13 76.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.807 0.337 . . . . 0.0 110.813 -175.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.3 t -72.86 -30.07 31.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.062 0.458 . . . . 0.0 109.91 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.441 ' HA ' ' HG2' ' A' ' 84' ' ' GLN . 54.6 tp -68.6 -33.93 74.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.207 177.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -64.75 -45.98 84.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -60.61 -19.05 56.76 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.254 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.441 ' HG2' ' HA ' ' A' ' 81' ' ' LEU . 29.1 mm-40 -60.18 -35.73 76.03 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.755 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.4 mtm105 -65.16 -48.52 73.21 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.07 0.462 . . . . 0.0 110.062 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -50.05 -55.62 14.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.013 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.44 -37.96 74.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.761 -177.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.463 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 10.2 tm0? -71.29 -44.5 65.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -176.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -70.93 -25.55 62.8 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.955 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.1 -35.5 69.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.977 0.417 . . . . 0.0 109.96 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 88' ' ' GLN . 43.0 tttm -60.46 -50.12 74.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.372 174.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.83 -28.7 67.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.193 178.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.11 -39.65 90.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.258 0.551 . . . . 0.0 110.157 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -77.51 -35.79 53.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.104 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.42 -25.53 33.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.873 -174.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 117.71 108.78 2.47 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.596 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.439 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 49.1 t80 -95.59 145.58 25.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -176.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.442 ' HG ' ' HB3' ' A' ' 126' ' ' LEU . 21.0 tp -75.5 103.04 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.529 -178.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.804 ' HB2' HD12 ' A' ' 129' ' ' ILE . 12.7 m -128.32 150.4 74.08 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.381 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.97 150.88 49.58 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.054 1.836 . . . . 0.0 111.034 174.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -71.26 107.38 4.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.286 0.565 . . . . 0.0 109.635 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.798 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 12.0 tp -74.78 3.83 7.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.211 -172.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 62.5 m -121.79 11.0 10.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.551 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 108' ' ' MET . 13.7 t70 -92.65 103.53 15.9 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.611 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -56.25 -35.97 68.0 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -168.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.582 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 38.1 tttm -88.98 -25.63 21.92 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 119.769 -0.772 . . . . 0.0 111.156 -176.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.459 ' HB2' ' OD1' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -73.48 -33.08 64.66 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 172.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 104' ' ' ASP . 94.9 mmm -67.37 -26.04 66.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.83 172.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.582 ' HB3' ' O ' ' A' ' 106' ' ' LYS . 34.8 tt0 -64.03 -49.82 70.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.828 173.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -64.47 -36.83 85.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.081 0.467 . . . . 0.0 110.159 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.427 ' HB3' ' HA ' ' A' ' 108' ' ' MET . 9.0 tt -66.97 -40.71 87.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.951 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.594 ' HE ' HG12 ' A' ' 31' ' ' VAL . 27.2 ttt180 -76.62 -27.3 55.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.76 0.314 . . . . 0.0 110.978 -177.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -105.19 20.76 18.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.186 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -62.4 110.22 1.59 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.51 0.671 . . . . 0.0 110.374 -176.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -76.68 -11.19 59.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.593 -177.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 91.32 58.29 1.47 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.417 -176.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.7 t -140.25 149.73 43.22 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -176.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.559 ' HA ' HD23 ' A' ' 121' ' ' LEU . 71.4 t80 -80.06 -16.12 55.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.01 0.433 . . . . 0.0 110.077 -177.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.2 -34.62 89.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.952 177.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 120' ' ' LEU . 49.4 mt -76.68 -2.36 32.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.79 0.329 . . . . 0.0 111.349 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 118' ' ' PHE . 4.5 mm? -85.24 -6.49 59.26 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.5 -33.14 17.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.294 171.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 75.9 p -80.41 -34.63 36.05 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.251 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 73.3 mt -75.74 130.43 38.64 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.269 174.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.444 HH12 ' CG ' ' A' ' 104' ' ' ASP . 1.7 mpp_? -104.72 82.28 1.87 Allowed 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.442 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . 10.4 mp -71.53 122.24 20.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.827 177.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.515 HD12 ' HG3' ' A' ' 135' ' ' GLN . 20.6 pt -106.6 177.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.198 -177.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.44 ' HB3' ' HB ' ' A' ' 136' ' ' VAL . 15.1 ttm180 -96.7 119.72 35.69 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.804 HD12 ' HB2' ' A' ' 99' ' ' CYS . 51.9 mt -112.05 129.18 67.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.287 0.565 . . . . 0.0 111.229 -176.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -106.57 129.97 54.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.998 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.534 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 28.6 t70 64.23 -80.98 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.158 0.911 . . . . 0.0 112.812 171.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.556 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 10.3 mtmp? -104.86 -69.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.176 0.513 . . . . 0.0 110.963 -178.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.869 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . -157.65 32.68 0.53 Allowed Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 129' ' ' ILE . 1.5 mp0 -83.76 129.53 34.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.38 -0.41 . . . . 0.0 110.065 -177.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.515 ' HG3' HD12 ' A' ' 127' ' ' ILE . 50.8 tt0 -86.43 106.4 17.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.155 0.502 . . . . 0.0 110.654 -175.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' A' ' 128' ' ' ARG . 3.5 t -82.58 90.36 2.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.61 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.473 HG13 ' HG2' ' A' ' 135' ' ' GLN . 18.5 m . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.95 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t . . . . . 0 C--O 1.221 -0.42 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -74.93 -8.85 57.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.373 0.606 . . . . 0.0 110.059 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -95.72 -46.79 6.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.572 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.7 mt -72.47 -29.23 63.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.011 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.513 ' HA ' ' HB3' ' A' ' 25' ' ' LYS . . . -56.42 -20.09 18.02 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 176.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -65.62 -39.46 91.52 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 70.3 t -73.88 -35.91 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.835 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.513 ' HB3' ' HA ' ' A' ' 22' ' ' ALA . 51.0 tptt -56.51 -45.67 80.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.514 175.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -60.18 -44.35 95.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.491 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.475 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.9 mtt -55.49 -45.89 76.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.717 176.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -62.88 -49.0 76.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.77 0.319 . . . . 0.0 110.602 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -60.21 -45.75 92.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.393 -177.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.544 HG22 ' HB2' ' A' ' 36' ' ' PHE . 9.4 p -67.8 -28.81 42.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 120.642 0.258 . . . . 0.0 111.479 -175.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 27' ' ' MET . 74.7 t -77.59 -35.01 21.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.064 0.459 . . . . 0.0 110.754 177.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -89.63 -7.59 54.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.92 -176.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 62.4 p -105.21 164.94 11.45 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -76.63 1.79 15.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.38 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.9 m -59.14 -50.35 74.38 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.994 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.544 ' HB2' HG22 ' A' ' 30' ' ' VAL . 28.5 m-85 -136.1 27.6 3.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 178.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 33' ' ' SER . 4.0 ttpm? -64.84 -14.29 58.87 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.008 0.432 . . . . 0.0 110.818 178.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.06 13.95 60.15 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.089 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.466 ' HG3' ' HD1' ' A' ' 36' ' ' PHE . 25.3 mm-40 -116.09 125.15 28.86 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 176.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -67.7 -70.94 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.433 2.089 . . . . 0.0 111.63 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' A' ' 105' ' ' ALA . 46.0 mm -131.93 148.42 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.414 ' HB2' ' HB3' ' A' ' 102' ' ' LEU . 81.9 m-85 -94.75 -171.81 2.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.39 0.614 . . . . 0.0 111.479 -177.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.467 ' HA ' ' OG ' ' A' ' 103' ' ' SER . 2.2 p30 -135.15 -174.12 3.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.219 -177.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.475 ' O ' ' HB ' ' A' ' 47' ' ' THR . 34.0 m170 -80.63 -21.36 41.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.849 0.357 . . . . 0.0 110.678 -177.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.02 -41.11 78.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.154 0.502 . . . . 0.0 110.013 176.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -69.17 -25.6 64.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.513 175.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.475 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 97.0 m -60.18 -53.44 57.65 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 170.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 48' ' ' ARG . 9.5 ttp85 -52.72 -47.48 67.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.593 175.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -59.11 -56.49 21.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.728 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -66.58 -46.6 75.44 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.498 ' HA ' ' HD2' ' A' ' 54' ' ' PHE . 46.6 mm -61.85 -39.43 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.886 0.374 . . . . 0.0 110.395 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -62.26 -42.89 99.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.058 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.69 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 85.9 p -61.59 -37.59 84.44 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.62 -178.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.498 ' HD2' ' HA ' ' A' ' 51' ' ' ILE . 49.6 m-85 -58.2 -47.14 84.39 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.916 0.388 . . . . 0.0 110.432 176.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.406 HG23 ' HB2' ' A' ' 86' ' ' ARG . 70.7 mt -59.79 -40.18 81.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.003 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -77.52 -13.81 59.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.909 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.69 ' HG3' ' O ' ' A' ' 53' ' ' SER . 63.5 mtp180 -82.94 -9.44 59.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.802 0.334 . . . . 0.0 110.752 178.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.79 -24.42 66.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.857 0.837 . . . . 0.0 109.131 171.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.22 -13.65 62.4 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.582 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 m -67.15 -37.1 83.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.788 0.328 . . . . 0.0 110.639 176.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -81.48 -30.55 33.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.217 0.532 . . . . 0.0 109.821 175.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.767 HD12 HD12 ' A' ' 65' ' ' LEU . 31.0 tp -68.22 -26.27 65.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.69 175.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -65.81 -30.37 70.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.203 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -66.11 -27.71 68.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.37 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.835 HD22 ' HG2' ' A' ' 75' ' ' PRO . 76.5 mt . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.517 175.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.835 ' HG2' HD22 ' A' ' 65' ' ' LEU . 23.3 Cg_exo . . . . . 0 CA--C 1.523 -0.052 0 N-CA-C 112.848 0.288 . . . . 0.0 112.848 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.0 m -59.76 -35.24 74.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.733 0.301 . . . . 0.0 111.025 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -72.92 -49.33 30.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.919 0.39 . . . . 0.0 110.514 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.571 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 37.7 mmt180 -68.99 -46.13 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.64 -176.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.545 ' HG3' HD11 ' A' ' 62' ' ' LEU . 50.0 tt0 -58.71 -47.58 84.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.336 -176.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.472 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 99.5 t -68.92 -47.1 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.661 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.29 -34.91 72.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.767 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.467 HD12 ' HD2' ' A' ' 85' ' ' ARG . 50.5 tp -71.45 -49.54 40.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.093 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 53.3 tt0 -63.19 -28.37 70.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.719 0.295 . . . . 0.0 111.251 -177.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 97.8 mt-30 -60.07 -28.4 67.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.67 0.271 . . . . 0.0 111.26 177.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.467 ' HD2' HD12 ' A' ' 82' ' ' LEU . 99.5 mtt180 -66.03 -49.16 68.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.823 -178.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 83' ' ' GLN . 8.4 ptp180 -69.93 -28.62 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.379 . . . . 0.0 110.187 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -70.55 -41.72 72.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.49 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -63.67 -42.0 98.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.895 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -55.7 -47.73 76.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.828 175.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 82.8 mt -56.13 -42.97 77.77 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.258 176.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -64.74 -46.41 82.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.358 -178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -69.13 -40.15 78.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.714 0.292 . . . . 0.0 110.567 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.877 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 37.5 t80 -64.16 -39.15 93.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.925 0.393 . . . . 0.0 110.476 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.461 ' HA ' ' N ' ' A' ' 131' ' ' ASP . 65.3 tttp -67.07 -35.59 80.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.15 -27.32 60.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.993 0.425 . . . . 0.0 110.944 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.67 84.67 0.26 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.619 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.877 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 53.2 t80 -82.03 149.13 28.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.04 98.67 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.989 0.423 . . . . 0.0 110.743 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.526 ' SG ' ' HD2' ' A' ' 97' ' ' PHE . 83.7 m -128.41 148.39 67.81 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.045 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -76.52 142.33 23.3 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.149 1.899 . . . . 0.0 111.881 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.48 109.53 5.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.03 0.443 . . . . 0.0 109.859 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.432 HD21 ' SD ' ' A' ' 27' ' ' MET . 16.8 mt -83.72 -0.56 51.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.126 -175.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.467 ' OG ' ' HA ' ' A' ' 43' ' ' ASP . 67.4 m -97.52 -1.11 44.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.061 0.458 . . . . 0.0 111.112 -178.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.404 ' OD2' ' HB2' ' A' ' 106' ' ' LYS . 18.2 t70 -100.9 116.4 32.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.114 177.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -67.12 -23.74 65.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.898 -176.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.404 ' HB2' ' OD2' ' A' ' 104' ' ' ASP . 92.4 mttt -76.14 -48.92 18.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -63.52 -39.5 94.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.807 178.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 27.0 ttm -70.3 -25.89 63.53 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.939 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -70.97 -39.49 72.49 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -62.41 -46.22 89.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.081 0.467 . . . . 0.0 110.287 172.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.57 -31.75 71.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.707 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -67.54 -34.23 76.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.13 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -106.79 20.73 18.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.489 0.662 . . . . 0.0 110.293 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -61.87 148.08 44.55 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.142 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -132.98 -177.26 4.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.866 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.49 61.31 3.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.53 175.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.0 m -132.84 113.74 13.26 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.676 -0.262 . . . . 0.0 110.488 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.584 ' HA ' HD23 ' A' ' 121' ' ' LEU . 82.5 t80 -64.18 -23.97 67.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.059 0.457 . . . . 0.0 110.446 178.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.18 -21.27 68.0 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.457 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 63.8 mt -77.08 -12.6 59.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.096 0.474 . . . . 0.0 110.744 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 118' ' ' PHE . 4.0 mm? -79.51 -6.73 57.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.541 0.686 . . . . 0.0 109.236 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -99.71 -30.56 12.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.2 175.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 44.7 p -77.12 -35.44 56.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.764 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.44 139.5 57.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.598 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 mtm-85 -84.41 77.14 10.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.843 0.83 . . . . 0.0 109.016 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 24.0 mt -83.34 121.82 27.65 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.442 -1.254 . . . . 0.0 109.614 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 35.6 pt -118.67 -177.45 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.986 -175.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 128' ' ' ARG . 43.2 mtt-85 -96.82 127.99 43.34 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.071 174.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.478 HD12 ' HB2' ' A' ' 99' ' ' CYS . 53.0 mt -115.64 124.21 71.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.266 174.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.488 HD22 HG22 ' A' ' 136' ' ' VAL . 29.1 p30 -104.12 169.65 8.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.118 0.485 . . . . 0.0 111.972 -171.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.461 ' N ' ' HA ' ' A' ' 94' ' ' LYS . 13.4 t70 50.74 -91.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.887 178.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.453 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 62.7 mttp -149.45 79.91 1.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.432 ' O ' ' HB3' ' A' ' 44' ' ' HIS . . . 76.43 38.46 33.26 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.948 177.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.423 ' HB2' ' OD1' ' A' ' 130' ' ' ASN . 54.8 mt-10 -117.55 156.82 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.619 -0.342 . . . . 0.0 110.499 176.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -84.21 133.82 34.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.183 -168.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.488 HG22 HD22 ' A' ' 130' ' ' ASN . 59.2 t -106.2 136.38 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 169.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.5 t . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 121.204 0.526 . . . . 0.0 110.379 -179.201 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 N--CA 1.456 -0.153 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.448 ' HE2' ' HE1' ' A' ' 97' ' ' PHE . 34.5 t60 -59.28 -19.4 45.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.854 173.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.559 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . 21.3 mt-10 -93.89 -61.0 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.539 177.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.8 mt -68.27 -30.55 69.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -170.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.88 -31.16 69.53 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.071 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.559 ' HE ' ' HA ' ' A' ' 20' ' ' GLU . 54.4 mtm180 -65.11 -52.16 57.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.456 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t -63.19 -38.45 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.166 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HG2' ' HZ3' ' A' ' 114' ' ' TRP . 5.1 tmtt? -57.91 -48.43 79.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.037 177.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -64.65 -46.17 83.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.539 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.7 mtt -55.89 -47.51 77.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.568 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -62.95 -49.34 75.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.186 0.517 . . . . 0.0 110.767 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.91 -40.62 89.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.287 -174.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.543 HG22 ' HB2' ' A' ' 36' ' ' PHE . 9.9 p -75.52 -28.66 20.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.616 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 27' ' ' MET . 98.4 t -77.72 -37.07 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.096 0.474 . . . . 0.0 110.604 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -78.75 -20.59 49.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.695 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 60.3 p -96.76 167.38 11.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.795 0.331 . . . . 0.0 110.479 177.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.44 -9.22 52.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.749 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.0 m -58.02 -40.83 81.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.317 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.543 ' HB2' HG22 ' A' ' 30' ' ' VAL . 6.2 m-85 -144.08 21.63 1.75 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 33' ' ' SER . 6.8 ttpm? -68.44 -10.01 52.47 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.098 0.475 . . . . 0.0 110.332 178.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.02 -17.88 79.31 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.863 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -116.86 96.6 49.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.527 ' O ' ' HG2' ' A' ' 108' ' ' MET . 31.8 Cg_exo -61.94 -27.79 80.22 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.602 2.201 . . . . 0.0 112.153 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.6 mm -130.1 145.69 35.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.874 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.621 ' HB2' ' HB3' ' A' ' 102' ' ' LEU . 54.7 m-85 -112.79 175.38 5.46 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 175.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -117.79 -172.78 2.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.344 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.555 ' O ' ' HB ' ' A' ' 47' ' ' THR . 37.4 m80 -80.06 -23.62 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.837 -175.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.25 -39.28 75.12 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 177.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -68.99 -21.82 64.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.892 176.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 53.6 m -60.08 -58.52 8.17 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 170.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.422 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 19.6 ttt180 -53.92 -42.48 68.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.779 176.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.37 -56.8 16.63 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.469 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.2 -42.72 68.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.453 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.5 mm -65.25 -39.86 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.23 -177.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -63.74 -41.24 98.07 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.621 0.248 . . . . 0.0 110.564 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.9 m -65.06 -32.32 73.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.877 0.37 . . . . 0.0 111.018 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -62.57 -39.71 94.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.063 0.458 . . . . 0.0 109.857 175.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.5 mt -72.69 -36.9 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.06 176.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.19 -33.21 67.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.297 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -74.24 0.85 12.87 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -62.89 -32.3 73.54 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.84 -31.41 71.66 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.152 176.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.4 m -65.36 -47.31 76.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.069 0.461 . . . . 0.0 110.334 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.542 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 43.1 mt-10 -68.6 -36.62 78.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.176 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.442 HD11 ' HG3' ' A' ' 79' ' ' GLN . 30.9 tp -58.24 -42.93 87.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.059 175.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.06 -19.07 61.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.794 0.33 . . . . 0.0 110.448 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.542 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 54.8 mm-40 -66.91 -41.01 87.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.343 171.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.332 -0.184 0 CA-C-O 121.804 0.811 . . . . 0.0 109.282 172.842 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.63 ' HG2' ' HB2' ' A' ' 79' ' ' GLN . 12.4 Cg_endo . . . . . 0 CA--C 1.53 0.295 0 N-CA-C 112.71 0.235 . . . . 0.0 112.71 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.4 p 45.61 -93.77 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.121 0.968 . . . . 0.0 113.278 175.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -65.15 -37.13 86.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 110.646 -178.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -76.15 -22.73 55.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.688 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.63 ' HB2' ' HG2' ' A' ' 75' ' ' PRO . 51.4 tt0 -71.41 -43.05 67.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.889 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.514 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 59.9 t -66.22 -37.54 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.42 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.4 tp -59.02 -33.41 70.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.583 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 62' ' ' LEU . 3.5 tm? -69.53 -46.82 65.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.889 177.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.566 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 30.5 tt0 -57.52 -35.05 69.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.15 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 97.3 mt-30 -58.9 -20.83 55.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.741 -177.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -63.06 -50.9 68.78 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 83' ' ' GLN . 18.4 ptp180 -69.42 -34.2 74.1 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.3 -175.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.92 -55.34 35.34 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.08 0.466 . . . . 0.0 110.552 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -61.66 -42.2 98.59 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.003 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.53 ' OE1' ' HA ' ' A' ' 89' ' ' GLU . 1.6 tp10 -70.19 -37.1 75.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.628 -176.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.602 ' HA ' ' HD2' ' A' ' 93' ' ' PHE . 53.3 mt -62.16 -35.46 78.87 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 175.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.41 -30.03 70.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.911 176.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 89' ' ' GLU . 34.6 tt0 -70.57 -49.38 48.53 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.849 173.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.662 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 82.3 m-85 -58.25 -41.42 84.17 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.943 0.401 . . . . 0.0 111.429 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -74.56 -8.03 55.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.728 -176.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.96 2.08 37.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.86 0.362 . . . . 0.0 111.235 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.87 81.85 1.55 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.497 -0.858 . . . . 0.0 111.392 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.662 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 34.0 t80 -75.22 130.48 39.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.609 0.243 . . . . 0.0 110.977 -174.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.3 tp -69.71 98.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.092 0.473 . . . . 0.0 110.261 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.594 ' SG ' ' HD2' ' A' ' 100' ' ' PRO . 35.9 t -128.19 144.94 53.59 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.578 -176.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.594 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 43.9 Cg_endo -71.1 134.03 24.34 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.952 1.768 . . . . 0.0 110.836 175.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -71.74 104.38 3.38 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.444 -0.502 . . . . 0.0 109.779 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.621 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 68.7 mt -64.68 -24.74 67.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.599 -177.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 p -80.88 -2.14 46.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.973 0.416 . . . . 0.0 111.408 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.512 ' HB3' ' HB3' ' A' ' 107' ' ' ASN . 14.0 t70 -95.83 123.45 39.42 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.854 176.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.47 -36.09 65.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.794 -173.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -68.55 -43.2 77.16 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.628 ' HB2' ' HB2' ' A' ' 125' ' ' ARG . 9.0 t30 -60.02 -45.34 93.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.686 175.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 40' ' ' PRO . 48.5 tpp -63.15 -35.13 79.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.671 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -67.62 -43.94 79.23 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.618 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -63.78 -35.52 80.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.925 0.393 . . . . 0.0 110.345 175.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.495 HD22 ' SD ' ' A' ' 108' ' ' MET . 8.8 tt -65.63 -45.55 82.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.361 177.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.5 ttp85 -60.9 -29.59 69.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.32 0.581 . . . . 0.0 111.083 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -106.69 21.48 17.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.579 -173.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.541 ' HZ3' ' HG2' ' A' ' 25' ' ' LYS . 61.2 t90 -69.42 143.25 53.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.688 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -130.51 -171.75 2.63 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.49 62.93 2.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.433 175.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.466 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 23.9 m -131.52 119.04 20.98 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.484 0.313 . . . . 0.0 110.246 -175.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -76.9 -33.43 57.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.079 0.466 . . . . 0.0 110.298 -177.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -70.81 -11.67 69.74 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.928 -0.654 . . . . 0.0 112.539 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 120' ' ' LEU . 2.6 tt -71.45 -22.37 61.84 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.496 HD13 HD12 ' A' ' 124' ' ' LEU . 4.2 mm? -65.64 -26.12 67.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.24 178.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -79.27 -15.0 58.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 80.4 p -99.7 1.96 43.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.451 . . . . 0.0 110.791 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.496 HD12 HD13 ' A' ' 121' ' ' LEU . 58.8 mt -98.05 149.54 22.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.693 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.628 ' HB2' ' HB2' ' A' ' 107' ' ' ASN . 64.2 mtt180 -85.64 74.68 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.63 0.729 . . . . 0.0 110.036 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.4 mt -88.99 125.3 34.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.161 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.464 HG13 HG13 ' A' ' 129' ' ' ILE . 32.8 pt -124.09 177.23 4.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.206 -179.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 -96.91 116.66 29.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.25 0.548 . . . . 0.0 109.863 176.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.525 HG22 ' O ' ' A' ' 130' ' ' ASN . 60.8 mt -122.07 134.07 66.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.427 -175.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.865 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 27.4 t-20 -71.9 152.97 42.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 172.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -47.85 -21.4 0.41 Allowed 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -173.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.472 ' HB2' ' HG3' ' A' ' 134' ' ' GLU . 31.8 mttp -95.4 5.29 52.03 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.112 -0.368 . . . . 0.0 111.871 -178.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 86.71 31.43 18.35 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.23 -175.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.865 ' HB2' ' HB3' ' A' ' 130' ' ' ASN . 50.6 mt-10 -96.92 143.79 27.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.614 0.245 . . . . 0.0 110.382 -176.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -77.14 120.45 22.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.449 -174.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.2 t -116.65 116.83 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.51 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 C--N 1.324 -0.522 0 CA-C-O 120.741 0.305 . . . . 0.0 111.053 -177.319 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.878 0.371 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.428 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 7.8 t-160 -60.67 -31.46 70.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.64 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.503 ' HG3' ' CZ ' ' A' ' 97' ' ' PHE . 2.3 mp0 -91.88 -52.31 4.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.627 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 mt -65.84 -26.59 67.73 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -169.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -25.15 65.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 111.051 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.666 HH12 ' HE2' ' A' ' 93' ' ' PHE . 4.5 ptm85 -72.64 -35.74 67.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.189 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.3 t -71.9 -40.63 68.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.81 -45.77 82.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.412 175.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.451 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 90.0 t80 -63.25 -54.03 43.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.649 178.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.562 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.8 mtt -54.68 -42.61 71.61 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -59.99 -55.17 37.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.213 -179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.6 -36.26 83.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.028 -175.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 26' ' ' PHE . 54.8 t -62.97 -42.95 98.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.393 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 27' ' ' MET . 80.2 t -66.67 -34.68 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.233 0.539 . . . . 0.0 110.601 178.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.745 HD21 ' HG3' ' A' ' 112' ' ' ARG . 34.9 m-80 -86.96 -9.23 56.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.906 -174.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.484 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 33.0 p -107.99 156.38 19.3 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 177.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -67.85 -3.63 10.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.51 -175.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.2 m -54.5 -46.71 73.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.069 177.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -140.75 20.27 2.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.77 0.319 . . . . 0.0 110.894 176.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 33' ' ' SER . 59.7 tttm -60.92 -22.68 64.61 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.062 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.13 -13.56 64.76 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.211 -0.518 . . . . 0.0 112.531 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -94.62 118.15 66.9 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.464 ' O ' HD13 ' A' ' 41' ' ' ILE . 32.2 Cg_exo -58.65 -63.7 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.138 1.892 . . . . 0.0 111.217 178.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 105' ' ' ALA . 29.6 mm -128.72 145.26 35.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 175.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.824 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 39.0 m-85 -82.38 -168.02 1.82 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.963 0.411 . . . . 0.0 111.144 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.892 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 18.6 t70 -146.67 170.3 17.24 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -179.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.519 ' O ' ' HB ' ' A' ' 47' ' ' THR . 12.6 m170 -61.71 -22.91 65.76 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.581 0.229 . . . . 0.0 111.309 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.29 73.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.846 0.355 . . . . 0.0 110.579 174.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.21 -24.65 60.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.581 ' O ' HG13 ' A' ' 51' ' ' ILE . 97.8 m -57.82 -57.16 14.0 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 169.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.617 HH11 ' HB3' ' A' ' 132' ' ' LYS . 34.6 ttp180 -50.85 -44.71 59.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.044 176.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -57.36 -47.99 80.2 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.228 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.451 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 11.1 m-30 -72.67 -36.56 67.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.655 -178.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.589 HG12 ' NH2' ' A' ' 23' ' ' ARG . 54.1 mt -66.62 -44.03 90.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.055 178.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -43.93 92.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.307 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 p -72.33 -34.74 68.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -65.27 -17.56 64.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.36 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 51' ' ' ILE . 63.5 mt -95.18 -26.14 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.184 0.516 . . . . 0.0 110.378 172.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -84.16 -6.07 59.34 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.157 -171.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.519 ' H ' ' HG3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -46.26 -43.36 15.54 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.899 0.381 . . . . 0.0 111.518 177.189 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.36 -6.36 39.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -175.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.28 -32.66 73.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 170.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.9 m -67.36 -36.77 82.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.113 174.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -66.08 -47.23 74.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.221 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.3 tp -62.24 -34.72 77.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.509 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.82 -39.78 90.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.725 177.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -66.94 -37.93 85.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.912 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.048 0.451 . . . . 0.0 110.51 177.528 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 CA--C 1.53 0.289 0 N-CA-C 112.439 0.13 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.2 t -47.94 -46.86 32.63 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.933 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -82.58 -51.57 7.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.893 0.377 . . . . 0.0 111.291 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.23 -27.27 68.55 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -172.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -62.49 -36.93 84.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.222 0.534 . . . . 0.0 110.301 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.2 t -69.99 -37.82 73.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.402 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.0 mt -65.13 -35.37 80.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.637 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.99 -46.65 89.88 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.67 -40.03 93.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.254 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -59.43 -32.95 70.67 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.526 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -63.17 -53.68 49.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.535 177.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -66.92 -33.79 76.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.971 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.23 -48.11 81.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.779 177.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -64.48 -49.97 69.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.856 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.57 ' O ' ' HD1' ' A' ' 93' ' ' PHE . 48.3 mt-10 -61.02 -38.83 87.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.16 -40.57 74.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.461 177.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -69.59 -35.02 74.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.662 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -68.46 -44.36 75.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.654 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.76 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 56.8 m-85 -66.48 -32.99 74.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.029 0.442 . . . . 0.0 110.676 177.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -68.95 -31.23 69.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.989 178.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.59 -3.48 34.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.669 -177.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.15 79.58 1.3 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.55 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.76 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 32.3 t80 -82.42 150.15 27.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 -177.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.7 tp -68.92 97.3 0.83 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.089 0.471 . . . . 0.0 110.138 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.432 ' HB3' HD12 ' A' ' 129' ' ' ILE . 36.2 t -128.53 141.95 43.2 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.056 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 99' ' ' CYS . 21.7 Cg_exo -64.71 149.57 89.53 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.329 2.019 . . . . 0.0 111.508 174.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -57.29 -37.15 71.97 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.202 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.824 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 13.5 tp 74.44 -28.44 0.19 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.062 173.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.892 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 5.5 p -96.09 -0.51 50.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.912 0.386 . . . . 0.0 111.421 178.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -88.79 122.8 32.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 174.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.515 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -71.81 -28.04 63.33 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -172.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -78.04 -39.29 42.43 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -60.8 -45.78 93.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.483 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -37.73 80.78 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.858 178.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.45 -51.57 62.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.477 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -64.73 -33.04 75.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.015 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.5 tt -61.6 -40.32 94.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.564 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.745 ' HG3' HD21 ' A' ' 32' ' ' ASN . 61.4 ttt180 -64.47 -34.49 78.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.289 0.566 . . . . 0.0 110.627 176.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -96.86 20.96 10.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.643 -173.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.648 ' HA ' HD13 ' A' ' 120' ' ' LEU . 29.9 t90 -72.55 91.38 1.41 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 174.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -66.49 -58.06 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.488 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.31 55.59 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.146 -1.025 . . . . 0.0 112.958 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.687 ' OG1' ' HB2' ' A' ' 120' ' ' LEU . 43.5 p -120.68 160.18 23.82 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.509 ' HA ' HD23 ' A' ' 121' ' ' LEU . 96.5 m-85 -88.05 -20.77 25.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.132 0.492 . . . . 0.0 109.931 173.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -76.53 -25.09 66.2 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.565 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.687 ' HB2' ' OG1' ' A' ' 117' ' ' THR . 1.7 tt -62.44 -25.67 68.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.338 0.59 . . . . 0.0 109.846 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.629 HD12 HD11 ' A' ' 126' ' ' LEU . 3.4 mm? -66.85 -16.2 64.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.899 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -84.03 -28.89 27.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.041 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 56.4 p -83.3 -20.06 35.11 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.248 0.546 . . . . 0.0 110.273 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.503 HD12 HD13 ' A' ' 121' ' ' LEU . 80.6 mt -79.64 136.2 36.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.667 174.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 52.5 ttt-85 -79.76 74.1 6.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.474 0.654 . . . . 0.0 109.262 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.629 HD11 HD12 ' A' ' 121' ' ' LEU . 86.8 mt -87.81 123.79 32.95 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.815 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.553 HD12 ' HG3' ' A' ' 135' ' ' GLN . 11.8 pt -119.62 -177.35 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.49 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.453 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 44.4 mtt180 -103.94 139.03 39.66 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.432 HD12 ' HB3' ' A' ' 99' ' ' CYS . 44.8 mt -134.1 128.21 52.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.309 -174.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.563 HD21 HG22 ' A' ' 136' ' ' VAL . 8.8 m-80 -89.25 105.52 17.85 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.948 176.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.582 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 35.8 t70 51.99 -83.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 166.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.617 ' HB3' HH11 ' A' ' 48' ' ' ARG . 55.9 mttp -85.78 37.57 0.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -171.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.431 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 68.94 32.72 73.69 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.433 178.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -94.85 118.81 32.39 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -178.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.553 ' HG3' HD12 ' A' ' 127' ' ' ILE . 53.3 tt0 -73.97 141.75 45.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.439 0.638 . . . . 0.0 112.08 -168.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.563 HG22 HD21 ' A' ' 130' ' ' ASN . 8.6 t -119.6 106.2 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.172 175.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 121.159 0.504 . . . . 0.0 110.774 179.586 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t . . . . . 0 C--O 1.223 -0.293 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.421 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 10.6 m170 -74.49 -7.66 53.76 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.339 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -83.86 -44.31 14.44 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 168.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.98 -42.84 94.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.941 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.7 -30.13 63.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.784 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 19' ' ' HIS . 62.3 mtt85 -66.03 -36.21 82.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.769 0.319 . . . . 0.0 110.395 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.9 t -69.92 -41.81 79.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.107 175.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 59.2 tttm -67.71 -31.8 72.0 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -62.75 -43.23 99.33 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.526 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.7 mtt -61.72 -45.47 93.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.76 174.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -54.6 -56.96 13.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.928 176.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.71 -45.7 85.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.689 -178.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 27' ' ' MET . 5.3 p -68.47 -28.64 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.432 -176.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 27' ' ' MET . 75.9 t -77.96 -36.92 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.204 0.526 . . . . 0.0 110.376 176.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -81.79 -17.5 47.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.937 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.534 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 30.2 t -93.8 155.54 17.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.792 177.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.34 -5.43 7.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.756 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.3 m -56.8 -50.97 70.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.719 0.295 . . . . 0.0 110.841 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -135.7 24.28 3.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.283 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 33' ' ' SER . 37.0 ttpt -70.02 -1.93 11.23 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.047 0.451 . . . . 0.0 111.139 178.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.41 -56.17 16.87 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.498 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -116.56 108.8 44.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 177.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.78 -18.37 41.84 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.864 2.376 . . . . 0.0 112.764 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 105' ' ' ALA . 17.2 mm -114.51 139.89 38.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.671 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 94.1 m-85 -119.7 -162.47 0.92 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.599 0.238 . . . . 0.0 110.778 -178.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -132.34 -175.84 3.88 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.617 ' O ' ' HB ' ' A' ' 47' ' ' THR . 32.2 m170 -76.93 -20.24 56.41 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -173.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.13 -40.85 62.37 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.002 0.429 . . . . 0.0 109.879 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.464 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 36.5 m80 -66.76 -25.15 66.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.103 174.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.617 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 75.2 m -56.68 -61.88 2.12 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.094 170.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.574 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 36.0 ttp85 -53.1 -47.04 68.91 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.407 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 27.7 mt-10 -54.33 -51.6 64.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.779 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.31 -35.65 71.34 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 47' ' ' THR . 67.2 mt -59.16 -51.5 71.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.956 0.407 . . . . 0.0 110.06 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -63.02 -38.24 90.38 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.384 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.7 m -57.78 -42.18 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.733 0.301 . . . . 0.0 111.214 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -72.06 -41.79 67.01 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.384 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.511 HG21 HD21 ' A' ' 90' ' ' LEU . 62.5 mt -67.24 -31.3 52.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.161 0.505 . . . . 0.0 110.4 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -65.06 -39.67 93.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.404 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -74.22 -3.15 28.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.557 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -66.11 -24.76 66.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.777 0.799 . . . . 0.0 109.237 174.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.09 -22.32 66.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.069 177.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.9 m -66.34 -38.67 88.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.787 0.327 . . . . 0.0 111.169 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.82 -39.42 64.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.498 0.666 . . . . 0.0 109.451 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.6 -32.13 73.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.321 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.59 -27.51 66.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.639 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -71.05 -35.69 72.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.167 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.309 177.256 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.61 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 32.9 Cg_endo . . . . . 0 C--O 1.225 -0.148 0 N-CA-C 113.02 0.354 . . . . 0.0 113.02 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.0 p -50.48 -49.54 55.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.917 0.389 . . . . 0.0 110.724 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -60.48 -40.59 91.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.328 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.61 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 43.1 mtt-85 -80.91 -36.25 31.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.218 -172.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.05 -39.95 94.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.439 0.637 . . . . 0.0 109.418 175.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.456 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 70.4 t -72.33 -42.87 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.267 178.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.4 tp -56.99 -37.24 71.37 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.398 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.19 -52.49 65.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.671 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -67.88 -30.72 70.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.906 -178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 86.3 mt-30 -60.27 -50.81 72.17 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.89 -0.141 . . . . 0.0 111.248 178.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.2 ptt85 -71.03 -34.85 71.69 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.516 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -60.59 -42.62 97.08 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.982 0.42 . . . . 0.0 109.996 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.13 -37.93 89.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.354 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -63.57 -48.57 76.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.673 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -63.09 -37.98 89.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 55' ' ' ILE . 91.2 mt -68.81 -35.46 77.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.896 175.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -59.71 -49.58 77.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -62.85 -37.24 86.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.624 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.954 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 73.1 t80 -60.69 -47.25 87.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 176.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -69.61 -21.0 63.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -97.83 11.16 38.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.576 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.36 87.78 1.34 Allowed Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.954 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 27.9 t80 -74.51 152.03 39.43 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -176.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.46 ' HG ' ' HB3' ' A' ' 126' ' ' LEU . 23.8 tp -76.38 94.56 3.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.99 0.424 . . . . 0.0 110.137 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.801 ' HB2' HD12 ' A' ' 129' ' ' ILE . 83.4 m -128.12 157.03 75.42 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.663 -178.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -70.57 146.19 54.52 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.445 2.096 . . . . 0.0 111.467 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.25 -36.68 68.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.18 177.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.671 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 18.7 tp 75.41 -16.31 0.59 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.497 0.719 . . . . 0.0 112.537 172.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.1 p -108.15 0.71 21.73 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.127 -0.358 . . . . 0.0 111.531 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.659 ' O ' ' HG2' ' A' ' 108' ' ' MET . 11.9 t70 -96.89 124.31 40.83 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.48 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -67.72 -33.43 74.88 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -173.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.536 ' HA ' ' HG3' ' A' ' 109' ' ' GLU . 44.0 tttp -75.44 -36.53 60.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.424 0.631 . . . . 0.0 109.969 -178.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -57.84 -38.59 75.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.232 171.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.659 ' HG2' ' O ' ' A' ' 104' ' ' ASP . 90.9 mmm -73.96 -21.03 60.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.12 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.536 ' HG3' ' HA ' ' A' ' 106' ' ' LYS . 40.0 mt-10 -61.27 -54.64 41.45 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 173.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.444 ' HB2' HD23 ' A' ' 124' ' ' LEU . 42.6 m-85 -64.13 -34.87 79.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.267 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.47 -45.54 79.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.765 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.7 ttt85 -71.59 -31.48 66.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.503 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -102.7 21.67 15.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.185 -176.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.481 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 12.9 t90 -72.26 111.33 7.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.25 0.548 . . . . 0.0 110.187 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -96.48 23.4 6.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.107 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 77.52 36.31 34.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.069 -175.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.561 ' HB ' ' HG ' ' A' ' 120' ' ' LEU . 5.2 m -96.24 114.44 26.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.277 -0.462 . . . . 0.0 110.228 -177.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.509 ' HA ' HD23 ' A' ' 121' ' ' LEU . 86.0 m-85 -63.61 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.868 -178.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.23 -18.41 69.25 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.796 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.561 ' HG ' ' HB ' ' A' ' 117' ' ' THR . 50.5 mt -78.73 -9.85 59.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.682 0.277 . . . . 0.0 111.167 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 118' ' ' PHE . 3.9 mm? -78.86 3.6 16.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.942 0.401 . . . . 0.0 110.854 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -119.99 -13.89 8.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.395 174.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 41.4 p -91.24 -32.81 15.62 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.194 177.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 110' ' ' PHE . 19.5 mt -59.38 141.26 54.99 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.474 174.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -79.15 76.81 5.66 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.924 0.869 . . . . 0.0 109.43 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.46 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . 54.9 mt -94.89 111.53 23.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.278 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 24.6 pt -106.46 -173.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.186 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.583 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 25.9 mmm-85 -96.58 111.94 23.88 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 176.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.801 HD12 ' HB2' ' A' ' 99' ' ' CYS . 34.7 mt -110.6 119.87 60.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.32 0.581 . . . . 0.0 111.832 -175.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -100.39 117.56 34.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.604 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 93' ' ' PHE . 2.7 m-20 56.14 -89.7 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 172.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.574 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 50.2 pttt -98.91 33.5 2.32 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -167.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.544 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 86.54 18.72 58.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.015 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -80.89 133.64 35.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.741 0.305 . . . . 0.0 110.461 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -81.42 113.83 19.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.105 0.479 . . . . 0.0 110.85 -177.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.583 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 21.4 t -83.93 99.63 6.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.434 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--N 1.321 -0.644 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.013 175.062 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.554 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 60.1 t . . . . . 0 C--O 1.225 -0.219 0 CA-C-O 121.136 0.493 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -92.07 3.93 54.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.931 0.396 . . . . 0.0 110.357 176.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -110.5 -70.35 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.773 0.32 . . . . 0.0 111.184 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.449 ' HG ' HD11 ' A' ' 121' ' ' LEU . 7.0 mp -77.26 -33.73 55.86 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -172.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -63.9 -19.27 64.97 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.449 HH22 ' CD ' ' A' ' 89' ' ' GLU . 42.2 mtt-85 -66.84 -41.21 87.76 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.05 0.453 . . . . 0.0 109.804 177.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.9 t -68.24 -36.87 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.835 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -63.95 -43.16 96.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.238 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.437 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 84.1 t80 -59.37 -46.31 89.01 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.455 177.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.563 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.0 mtt -54.82 -52.52 62.45 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 175.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -55.55 -47.07 76.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.24 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.13 -51.63 68.89 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 178.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 26' ' ' PHE . 95.3 t -59.86 -44.76 94.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -178.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 27' ' ' MET . 63.8 t -63.9 -36.95 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.208 0.527 . . . . 0.0 111.146 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -99.18 6.15 46.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.642 -175.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.53 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 47.1 t -110.9 150.54 29.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 175.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -69.65 -3.38 14.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.074 0.464 . . . . 0.0 110.474 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.1 m -47.92 -51.42 23.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.547 173.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -142.52 28.8 1.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.521 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 33' ' ' SER . 49.1 tttm -62.6 -14.26 40.83 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.513 -176.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.73 -23.2 73.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.914 174.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -116.27 100.99 53.91 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -62.8 -30.54 77.92 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.748 2.299 . . . . 0.0 112.727 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.562 HD11 ' HA ' ' A' ' 105' ' ' ALA . 59.0 mt -136.67 138.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.865 0.364 . . . . 0.0 110.473 -178.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -105.65 153.17 22.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.498 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.7 -178.55 7.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.099 0.476 . . . . 0.0 111.036 -176.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.697 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 31.5 m170 -71.83 -25.82 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.806 -175.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.83 78.36 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 175.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -71.36 -21.81 61.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.68 175.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.641 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 37.8 m -56.98 -57.96 10.26 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 168.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.554 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 3.3 ttp180 -51.64 -45.59 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.619 175.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -59.47 -50.57 73.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.369 -177.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.437 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 9.3 m-85 -73.15 -37.48 66.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.605 -178.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.06 -46.44 94.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.983 0.42 . . . . 0.0 109.948 176.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -64.44 -39.86 94.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.916 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -66.31 -33.81 76.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' A' ' 57' ' ' ARG . 53.0 t80 -66.32 -38.28 87.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.92 0.391 . . . . 0.0 110.043 177.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.2 mt -70.52 -29.97 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.653 0.739 . . . . 0.0 109.808 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -73.65 -16.02 61.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.547 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 19.1 ttm180 -61.8 -33.8 74.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.35 173.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.58 -22.25 66.79 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.391 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.26 -24.64 67.96 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.455 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.2 m -62.15 -44.4 96.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.076 0.465 . . . . 0.0 110.767 -178.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.52 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 53.6 mt-10 -69.53 -32.27 70.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.214 178.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.2 tp -67.99 -39.44 83.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.712 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.95 -36.91 83.27 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.88 -38.9 83.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 174.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.619 ' HB3' ' HG2' ' A' ' 75' ' ' PRO . 95.6 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.144 0.497 . . . . 0.0 110.097 175.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.619 ' HG2' ' HB3' ' A' ' 65' ' ' LEU . 5.8 Cg_exo . . . . . 0 N--CA 1.462 -0.354 0 CA-C-O 120.449 0.104 . . . . 0.0 112.07 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.3 p -46.84 -54.05 10.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.119 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -73.46 -41.76 62.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.051 0.453 . . . . 0.0 111.202 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 78' ' ' ARG . 0.8 OUTLIER -69.39 -27.1 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.656 -172.208 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -70.2 -24.35 63.1 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.98 0.419 . . . . 0.0 109.973 174.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.7 t -71.5 -40.05 71.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.786 176.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.64 -34.86 78.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.229 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.624 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.6 OUTLIER -63.54 -44.77 93.25 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 174.576 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -55.97 -47.47 77.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.768 176.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -56.91 -41.51 78.28 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.316 0.385 . . . . 0.0 111.234 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.624 ' HD3' ' HA ' ' A' ' 82' ' ' LEU . 39.2 mtp180 -53.59 -54.06 42.9 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.622 178.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -70.98 -38.39 72.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.248 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -59.25 -43.88 92.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.912 -176.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -68.25 -41.42 81.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.567 177.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 25.6 mm-40 -50.51 -57.47 8.03 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.243 0.544 . . . . 0.0 111.339 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.38 -39.24 93.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.155 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -70.09 -42.79 72.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.929 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.71 -38.11 86.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.026 -178.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.798 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 38.8 t80 -71.24 -36.62 71.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.98 -179.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.431 ' HA ' ' OD1' ' A' ' 130' ' ' ASN . 22.2 mttp -76.8 -5.48 48.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 111.526 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.62 8.47 35.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.143 0.497 . . . . 0.0 110.196 175.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.41 82.63 1.38 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.66 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.798 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 65.7 t80 -84.83 145.47 27.82 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.422 ' HG ' HD23 ' A' ' 126' ' ' LEU . 28.9 tp -70.03 101.5 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.503 -178.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.758 ' HB2' HD12 ' A' ' 129' ' ' ILE . 34.4 m -128.26 147.03 61.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.088 -178.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -70.15 137.09 33.53 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 121.967 1.778 . . . . 0.0 111.375 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -66.32 102.19 0.83 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.089 0.471 . . . . 0.0 110.958 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.418 HD21 ' SD ' ' A' ' 27' ' ' MET . 80.0 mt -79.87 90.41 5.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.727 175.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.3 t -178.13 -47.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.253 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -69.19 133.82 48.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.637 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.562 ' HA ' HD11 ' A' ' 41' ' ' ILE . . . -74.17 -39.05 63.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.108 -175.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -66.62 -37.53 85.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -63.62 -40.65 97.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.122 176.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.536 ' SD ' HG21 ' A' ' 31' ' ' VAL . 42.7 tpp -67.87 -44.15 77.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.376 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 112' ' ' ARG . 42.3 tt0 -67.51 -35.34 78.93 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.278 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -33.53 72.05 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 176.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.418 HD22 ' SD ' ' A' ' 108' ' ' MET . 5.1 tt -64.47 -32.84 74.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.982 174.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.457 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 36.0 ttt180 -66.82 -33.98 76.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.579 174.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -88.83 8.68 27.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.479 ' HD1' HD22 ' A' ' 120' ' ' LEU . 66.0 t90 -71.0 131.77 44.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.102 0.477 . . . . 0.0 111.335 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -112.8 -178.09 3.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.404 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.54 64.66 2.52 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.66 175.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.5 m -135.66 123.02 21.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.598 0.237 . . . . 0.0 110.622 -177.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -64.4 -33.44 75.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.349 -178.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.44 -22.52 69.57 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.092 -0.575 . . . . 0.0 113.04 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.479 HD22 ' HD1' ' A' ' 114' ' ' TRP . 1.2 tt -74.53 -14.04 60.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.567 0.699 . . . . 0.0 109.905 -178.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.449 HD11 ' HG ' ' A' ' 21' ' ' LEU . 96.7 mt -78.68 -7.57 57.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.332 178.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -98.27 -21.22 16.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.928 176.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 68.6 p -87.4 -29.04 21.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.982 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.5 mt -73.66 155.88 38.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.587 172.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -87.36 81.28 7.92 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.976 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.422 HD23 ' HG ' ' A' ' 98' ' ' LEU . 9.3 mp -94.76 122.9 37.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.147 175.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 22.0 pt -123.21 179.05 2.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.354 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -96.63 113.5 25.07 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.346 0.593 . . . . 0.0 109.858 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.758 HD12 ' HB2' ' A' ' 99' ' ' CYS . 54.4 mt -111.22 135.95 48.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.242 -172.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.431 ' OD1' ' HA ' ' A' ' 94' ' ' LYS . 44.0 t30 -118.36 125.44 50.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.972 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 55.48 -102.28 0.15 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.088 -0.96 . . . . 0.0 113.401 176.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.554 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 25.8 pttm -86.12 40.18 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -167.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.697 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 72.1 29.31 66.91 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.067 -1.063 . . . . 0.0 111.64 -179.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -86.02 125.44 33.42 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -74.49 120.76 20.49 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 23.7 t -82.83 97.28 4.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.748 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.453 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.114 177.147 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.525 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 33.3 m . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 121.299 0.571 . . . . 0.0 109.796 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.412 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . 17.4 t-80 -72.81 -5.33 37.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.039 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.637 ' HB3' HD22 ' A' ' 21' ' ' LEU . 25.9 tt0 -115.8 -71.0 0.76 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.052 -174.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.637 HD22 ' HB3' ' A' ' 20' ' ' GLU . 1.9 mm? -89.15 -14.6 35.75 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -170.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -66.6 -23.41 66.18 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.514 -0.475 . . . . 0.0 111.442 -176.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.434 ' HD3' HH11 ' A' ' 23' ' ' ARG . 13.3 mtm180 -68.13 -33.54 74.68 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.883 176.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.0 t -67.63 -40.21 83.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.696 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 55.4 tttm -71.21 -32.21 68.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.388 177.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -63.91 -47.17 81.61 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.429 ' O ' HG23 ' A' ' 31' ' ' VAL . 62.0 mtt -56.74 -49.03 76.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.567 174.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -52.13 -56.37 14.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.735 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -56.32 -53.95 51.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.313 -177.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.623 HG12 ' HB2' ' A' ' 36' ' ' PHE . 94.6 t -69.35 -34.3 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -173.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 27' ' ' MET . 95.9 t -80.56 -28.04 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.012 0.434 . . . . 0.0 110.822 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -84.15 -28.84 27.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.95 0.405 . . . . 0.0 110.383 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.535 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 67.9 p -89.56 157.76 17.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.675 ' HA ' ' HB3' ' A' ' 37' ' ' LYS . 8.3 m-20 -66.9 1.95 1.66 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -174.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.5 m -55.57 -53.7 53.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.719 0.295 . . . . 0.0 110.696 175.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.623 ' HB2' HG12 ' A' ' 30' ' ' VAL . 13.2 m-85 -127.38 9.88 6.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.884 0.374 . . . . 0.0 110.862 175.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.675 ' HB3' ' HA ' ' A' ' 34' ' ' ASP . 60.2 tttm -67.18 -13.83 62.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.542 177.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.06 -18.58 69.11 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.003 -0.618 . . . . 0.0 111.981 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -100.61 131.57 23.53 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -62.54 -68.37 0.04 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.292 1.995 . . . . 0.0 111.668 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 105' ' ' ALA . 47.1 mm -125.63 152.24 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.687 ' HB2' ' HB3' ' A' ' 102' ' ' LEU . 72.5 m-85 -103.02 -173.07 2.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.413 0.625 . . . . 0.0 111.907 -172.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -130.31 178.98 6.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.714 -176.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.582 ' O ' ' HB ' ' A' ' 47' ' ' THR . 64.4 m170 -81.77 -10.41 59.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.319 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.94 -40.61 62.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.24 0.543 . . . . 0.0 110.207 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -70.45 -19.85 62.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.953 173.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.582 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 94.9 m -62.05 -64.67 0.86 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.166 172.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.733 ' HD3' ' HB3' ' A' ' 132' ' ' LYS . 31.8 ptt85 -53.98 -40.27 66.75 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.751 0.31 . . . . 0.0 110.961 -178.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -63.12 -55.92 21.18 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.666 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -66.43 -36.72 83.5 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 47' ' ' THR . 43.6 mm -62.08 -51.9 66.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -62.11 -36.91 83.19 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.596 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -57.98 -38.44 76.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.984 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.412 ' CE2' ' HA ' ' A' ' 19' ' ' HIS . 64.5 t80 -75.67 -33.79 60.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.739 0.304 . . . . 0.0 110.285 178.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 51' ' ' ILE . 72.6 mt -60.45 -42.58 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.111 0.481 . . . . 0.0 110.364 177.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.23 -30.13 64.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.4 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -62.25 -33.87 75.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.684 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -67.56 -46.83 71.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.209 177.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 32.7 t70 -69.41 -6.77 32.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.676 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.8 m -73.43 -26.58 61.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.875 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -71.35 -24.72 62.15 Favored 'General case' 0 C--N 1.335 -0.057 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.136 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 0.6 OUTLIER -56.46 -45.84 80.68 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.043 174.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -55.65 -46.32 77.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.194 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -67.51 -34.89 78.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.122 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 120.986 0.422 . . . . 0.0 110.297 175.462 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.457 -0.655 0 N-CA-C 111.534 -0.218 . . . . 0.0 111.534 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.4 m -48.97 -37.42 20.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.816 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -74.37 -62.67 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -73.54 -24.34 60.11 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -170.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -66.6 -51.58 54.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.109 0.481 . . . . 0.0 109.749 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.506 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 65.9 t -64.57 -40.71 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.849 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 57.5 tp -58.71 -43.98 90.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 177.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -51.97 67.5 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -56.82 -42.48 79.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.72 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 27.8 mt-30 -62.38 -29.52 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.74 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 81' ' ' LEU . 34.2 mtm180 -64.94 -42.04 95.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.227 0.537 . . . . 0.0 109.764 177.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.8 ttp85 -73.6 -41.85 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.568 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -44.8 95.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.365 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -63.94 -42.64 97.27 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.707 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -67.26 -37.36 83.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.1 mt -67.77 -25.59 65.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.768 0.318 . . . . 0.0 111.094 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -70.05 -45.7 66.55 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -71.81 -32.65 67.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.287 176.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -53.31 -39.78 64.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.313 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -69.91 -39.73 76.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.656 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -99.35 3.4 45.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -173.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.497 ' HA2' ' HA ' ' A' ' 130' ' ' ASN . . . 106.27 108.83 3.34 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.937 -178.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -97.08 145.08 26.33 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 -176.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.2 tp -69.77 103.82 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.648 ' HB2' HD12 ' A' ' 129' ' ' ILE . 42.6 m -128.15 147.35 63.08 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.204 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.48 138.08 29.12 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 121.975 1.783 . . . . 0.0 111.247 175.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -74.43 104.59 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.031 0.443 . . . . 0.0 110.589 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.687 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 35.4 mt -71.18 -10.98 60.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.778 -177.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 p -93.96 20.79 7.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.918 0.39 . . . . 0.0 111.115 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.568 ' O ' ' HG2' ' A' ' 108' ' ' MET . 25.1 t70 -127.44 115.49 18.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.147 174.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.42 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -59.54 -39.35 83.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.389 -175.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.434 ' O ' ' HD1' ' A' ' 110' ' ' PHE . 73.9 tttt -68.07 -39.56 82.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.341 -177.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -58.9 -41.4 87.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.096 0.474 . . . . 0.0 110.129 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.568 ' HG2' ' O ' ' A' ' 104' ' ' ASP . 90.4 mmm -66.46 -35.16 79.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.831 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -59.05 -49.59 77.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.763 176.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.434 ' HD1' ' O ' ' A' ' 106' ' ' LYS . 35.8 m-85 -62.91 -42.95 99.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.462 177.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.8 -40.38 95.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.029 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -76.43 -9.02 58.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.759 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -121.44 19.37 11.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.892 0.377 . . . . 0.0 110.666 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.696 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 15.8 t90 -66.46 117.8 9.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.197 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -90.06 8.31 33.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.266 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 90.28 11.32 62.94 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.468 -176.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.411 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 13.3 m -79.44 127.12 31.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.364 -0.418 . . . . 0.0 110.924 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -74.82 -26.24 59.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.91 0.386 . . . . 0.0 110.654 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -68.17 -29.82 73.49 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.837 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 120' ' ' LEU . 4.2 tt -65.29 -18.69 65.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.094 0.473 . . . . 0.0 110.252 -178.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.452 ' HA ' HD12 ' A' ' 124' ' ' LEU . 83.9 mt -64.79 -25.28 67.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.876 0.37 . . . . 0.0 110.49 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -78.68 -12.99 60.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.199 0.523 . . . . 0.0 110.458 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 69.8 p -104.36 9.06 35.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.361 0.601 . . . . 0.0 110.164 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 121' ' ' LEU . 68.8 mt -104.86 151.83 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.064 177.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -88.89 74.36 8.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.44 0.638 . . . . 0.0 109.742 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.9 mt -86.67 105.89 17.23 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.762 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 40.6 pt -108.86 178.26 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.601 -176.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.591 ' HG2' HG21 ' A' ' 136' ' ' VAL . 40.4 ttt180 -101.01 111.74 24.02 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.648 HD12 ' HB2' ' A' ' 99' ' ' CYS . 54.6 mt -104.42 122.62 57.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.031 0.444 . . . . 0.0 110.804 -177.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.557 ' HB2' HG22 ' A' ' 136' ' ' VAL . 59.7 t30 -82.62 132.19 35.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.357 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.2 t70 51.38 -91.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 O-C-N 124.443 1.089 . . . . 0.0 112.259 171.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.733 ' HB3' ' HD3' ' A' ' 48' ' ' ARG . 99.4 mttt -132.42 83.24 2.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.114 0.483 . . . . 0.0 111.051 -174.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 70.19 37.16 71.88 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.989 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -114.23 157.25 22.95 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.675 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -94.7 122.6 37.47 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.848 -174.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.591 HG21 ' HG2' ' A' ' 128' ' ' ARG . 91.8 t -85.56 111.03 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.033 0.444 . . . . 0.0 110.368 176.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.4 m . . . . . 0 C--N 1.32 -0.687 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.906 176.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 C--O 1.225 -0.205 0 CA-C-O 120.576 0.226 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -49.89 -34.25 19.67 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.771 0.428 . . . . 0.0 111.681 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -80.59 -45.2 17.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.37 -177.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 21' ' ' LEU . 5.8 mp -71.67 -31.86 67.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.899 0.381 . . . . 0.0 110.03 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.12 -25.26 67.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 176.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.2 ttm-85 -65.87 -43.26 88.88 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 27' ' ' MET . 96.9 t -69.17 -37.05 75.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.224 174.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -62.15 -41.25 98.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.755 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.463 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 60.2 t80 -62.55 -41.67 99.05 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.58 ' O ' HG22 ' A' ' 31' ' ' VAL . 59.0 mtt -53.19 -48.67 67.86 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 172.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -56.31 -54.36 46.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.064 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -54.36 -44.74 72.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.874 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 26' ' ' PHE . 69.5 t -59.88 -49.01 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.064 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.657 HG23 ' HG2' ' A' ' 112' ' ' ARG . 20.2 m -90.83 2.75 7.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -173.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -110.15 -23.9 11.01 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.781 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 79.6 p -93.1 171.96 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 176.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.579 ' HA ' ' HB2' ' A' ' 37' ' ' LYS . 24.6 t70 -76.29 -1.7 27.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.859 0.361 . . . . 0.0 110.8 -177.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.413 HG22 ' CD1' ' A' ' 36' ' ' PHE . 55.7 m -55.03 -49.52 71.36 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.288 175.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD1' HG22 ' A' ' 35' ' ' THR . 31.9 m-85 -135.84 26.13 3.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 175.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.579 ' HB2' ' HA ' ' A' ' 34' ' ' ASP . 60.3 tttp -53.92 -30.48 46.5 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.263 176.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.17 -31.51 79.44 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.668 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -116.91 93.04 40.63 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 176.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -76.65 -22.41 12.05 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.432 2.088 . . . . 0.0 113.013 -176.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 105' ' ' ALA . 27.6 mm -118.97 133.62 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -177.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.539 ' HB3' ' HB2' ' A' ' 46' ' ' HIS . 16.0 m-85 -110.67 152.32 26.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.097 0.475 . . . . 0.0 111.344 -178.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -86.51 165.56 16.16 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 171.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.668 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 65.3 m170 -57.91 -18.17 21.35 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.825 0.345 . . . . 0.0 111.309 178.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.26 -37.82 78.56 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 174.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.539 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 83.9 m-70 -78.59 -17.62 55.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.433 178.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 91.8 m -62.67 -61.88 2.12 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.503 ' HB3' ' HA ' ' A' ' 132' ' ' LYS . 21.6 ptt85 -61.24 -29.81 70.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.243 0.544 . . . . 0.0 109.936 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.98 -63.03 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.011 177.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.463 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 44.1 m-85 -74.72 -40.79 61.09 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -175.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.2 mm -63.44 -50.42 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.028 -177.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.543 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 59.5 tp60 -63.19 -47.02 84.34 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.906 -178.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.461 ' HA ' ' HB2' ' A' ' 56' ' ' GLU . 66.9 m -69.58 -25.29 63.9 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.722 0.296 . . . . 0.0 111.751 -177.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.526 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 50.4 t80 -64.34 -36.81 85.33 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 173.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.431 HG12 ' OE1' ' A' ' 89' ' ' GLU . 63.9 mt -71.73 -43.43 70.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.826 174.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 52' ' ' GLN . 45.5 mt-10 -59.6 -16.39 25.41 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.23 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.526 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 34.4 mtt85 -61.99 -12.05 16.64 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 111.485 174.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -65.86 -26.39 67.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.452 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -31.57 72.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.986 0.422 . . . . 0.0 110.343 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.9 m -75.68 -35.26 60.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.457 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -74.54 -35.47 63.12 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.92 -48.21 79.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.613 174.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.45 -33.67 72.89 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.796 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.5 -48.73 80.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.629 174.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.443 0.64 . . . . 0.0 110.748 178.421 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo . . . . . 0 CA--C 1.527 0.148 0 CA-C-O 120.493 0.122 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.7 m -65.62 -29.36 69.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.897 0.379 . . . . 0.0 111.269 -176.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -79.06 -53.47 6.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.984 0.421 . . . . 0.0 110.55 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -70.57 -39.14 74.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.351 -173.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -62.0 -42.19 98.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.066 0.46 . . . . 0.0 110.855 -175.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.405 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 59.8 t -74.09 -32.48 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.504 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.09 -34.27 75.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.424 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.01 -45.81 91.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.626 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -58.81 -40.88 85.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.69 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 80.6 mt-30 -66.76 -20.72 66.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -178.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 85' ' ' ARG . 24.8 mmt180 -77.8 -34.35 52.19 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 174.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -63.96 -42.68 97.2 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 171.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.45 -45.15 65.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.07 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -62.07 -50.32 72.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.194 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.431 ' OE1' HG12 ' A' ' 55' ' ' ILE . 10.6 mm-40 -53.12 -52.58 58.23 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.946 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 90' ' ' LEU . 4.1 mm? -67.1 -36.86 82.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.71 -177.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -61.53 -49.61 76.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.975 0.417 . . . . 0.0 110.527 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -72.56 -30.36 64.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.619 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.763 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 17.7 t80 -64.26 -40.05 95.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.719 178.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -88.1 0.37 56.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.434 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.12 10.88 33.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.174 0.512 . . . . 0.0 110.147 176.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.59 85.29 1.6 Allowed Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.763 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 22.5 t80 -82.88 142.69 31.28 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -177.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.0 tp -78.21 101.54 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.957 0.408 . . . . 0.0 110.715 -177.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.665 ' HB2' HD12 ' A' ' 129' ' ' ILE . 80.5 m -128.59 157.61 74.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.22 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -81.02 147.17 16.5 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.427 2.085 . . . . 0.0 111.283 174.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -77.72 102.57 7.18 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.498 ' HA ' ' SD ' ' A' ' 108' ' ' MET . 80.5 mt -64.19 -18.48 64.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.295 -174.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.4 p -88.18 5.09 43.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.739 0.304 . . . . 0.0 111.754 -175.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 108' ' ' MET . 15.9 t70 -102.2 106.64 17.51 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 173.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.513 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -64.75 -25.64 68.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.87 -173.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -73.32 -50.0 24.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.344 0.593 . . . . 0.0 109.78 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.427 ' HA ' HD22 ' A' ' 107' ' ' ASN . 4.4 m120 -67.78 -30.09 69.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.919 176.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.513 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 93.0 mmm -66.37 -28.12 68.4 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.8 174.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -68.3 -37.15 80.33 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.34 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -62.99 -38.83 92.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.031 0.443 . . . . 0.0 110.14 171.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.407 HD21 ' HB3' ' A' ' 27' ' ' MET . 9.0 tt -71.56 -42.98 67.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.09 -177.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.657 ' HG2' HG23 ' A' ' 31' ' ' VAL . 52.5 mtp180 -68.32 -25.83 65.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.071 0.463 . . . . 0.0 110.814 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -108.59 21.18 17.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.781 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 44.0 t90 -66.39 157.3 32.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.549 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -147.17 174.66 11.38 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -71.81 63.23 1.23 Allowed Glycine 0 CA--C 1.519 0.343 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.741 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.3 m -133.66 118.18 17.87 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -63.67 -28.98 70.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.93 0.395 . . . . 0.0 110.538 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.12 -20.72 63.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.884 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 48.2 mt -73.69 -11.71 60.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 111.131 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.4 -6.74 59.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.271 0.558 . . . . 0.0 109.549 175.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -96.99 -23.1 16.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.667 174.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 45.4 p -85.33 -18.9 32.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.221 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 58.9 mt -89.73 125.55 35.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.517 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.423 ' HB3' ' OD1' ' A' ' 107' ' ' ASN . 21.0 ttt85 -75.95 82.13 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.695 0.759 . . . . 0.0 109.047 174.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.7 mt -85.49 133.7 34.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.299 -177.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.417 HD12 ' OE1' ' A' ' 135' ' ' GLN . 23.9 pt -122.86 173.61 8.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.447 -175.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 29.9 mtt180 -96.76 125.19 41.04 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.096 0.474 . . . . 0.0 110.277 175.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.665 HD12 ' HB2' ' A' ' 99' ' ' CYS . 54.9 mt -119.45 136.83 55.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.804 -177.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.4 ' HB3' ' HB3' ' A' ' 134' ' ' GLU . 6.9 t30 -109.2 122.45 47.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.544 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 42.4 m-20 49.2 -93.42 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 171.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.503 ' HA ' ' HB3' ' A' ' 48' ' ' ARG . 76.2 mttt -87.61 25.46 1.47 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.778 -167.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.668 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 84.86 28.26 32.21 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.3 -0.952 . . . . 0.0 111.476 -177.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 130' ' ' ASN . 30.4 tt0 -80.92 140.28 35.39 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -177.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.417 ' OE1' HD12 ' A' ' 127' ' ' ILE . 57.1 tp60 -78.89 114.56 17.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.389 -174.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.6 t -102.08 100.14 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 173.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.278 -176.57 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.463 HG12 ' HB2' ' A' ' 22' ' ' ALA . 29.2 t . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -57.63 -26.98 62.37 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -92.05 -54.98 3.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.202 0.525 . . . . 0.0 110.292 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.84 -34.38 78.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.573 -172.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.463 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -65.52 -31.17 72.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.351 . . . . 0.0 111.442 -176.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -70.38 -33.83 71.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.027 0.442 . . . . 0.0 109.982 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.1 t -68.54 -39.31 80.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.262 176.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -70.78 -34.74 72.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.133 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -60.83 -45.65 93.63 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 120.614 -0.434 . . . . 0.0 109.847 175.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.626 ' O ' HG23 ' A' ' 31' ' ' VAL . 67.5 mtt -54.56 -53.91 48.32 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.773 175.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.442 ' HG3' ' HA ' ' A' ' 112' ' ' ARG . 33.4 tt0 -50.49 -54.58 21.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.614 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.0 -43.16 81.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.026 -176.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.684 HG12 ' HB2' ' A' ' 36' ' ' PHE . 59.8 t -78.02 -37.7 23.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.985 -176.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 27' ' ' MET . 98.2 t -65.2 -39.06 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 121.1 0.476 . . . . 0.0 110.058 177.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.45 -18.18 52.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.43 178.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 28.9 t -83.04 153.27 25.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.205 177.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.94 -16.26 63.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.05 0.453 . . . . 0.0 109.877 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.6 m -48.59 -44.99 37.4 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.653 177.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.684 ' HB2' HG12 ' A' ' 30' ' ' VAL . 8.0 m-85 -137.92 15.17 2.87 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.062 0.394 . . . . 0.0 112.062 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 33' ' ' SER . 29.0 ttpt -64.74 -17.35 64.06 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.157 0.503 . . . . 0.0 109.96 175.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.25 -30.15 63.94 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.957 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -95.71 127.57 40.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 176.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.5 -59.29 0.9 Allowed 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.37 2.046 . . . . 0.0 111.079 176.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mm -129.56 153.94 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.008 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.617 ' CE1' HG22 ' A' ' 31' ' ' VAL . 14.1 m-85 -87.0 -165.03 1.18 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.948 0.404 . . . . 0.0 111.772 -174.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -130.9 163.97 26.3 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -176.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.636 ' O ' ' HB ' ' A' ' 47' ' ' THR . 32.6 m170 -71.78 -29.67 64.72 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 174.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.17 -32.77 74.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.385 0.612 . . . . 0.0 109.818 173.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -78.53 -15.28 58.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.329 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.636 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 37.0 m -64.81 -55.62 18.51 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 170.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' A' ' 132' ' ' LYS . 51.7 ttp180 -54.34 -40.66 68.25 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 121.026 0.441 . . . . 0.0 110.086 177.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -65.49 -44.64 86.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.147 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.34 -37.4 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.982 0.42 . . . . 0.0 111.347 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.512 ' O ' HG13 ' A' ' 55' ' ' ILE . 22.6 mm -66.9 -43.44 89.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.287 176.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -64.36 -37.84 88.92 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.552 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 p -68.08 -36.23 79.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.054 0.454 . . . . 0.0 110.726 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -68.28 -25.66 65.26 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 51' ' ' ILE . 68.7 mt -83.71 -16.62 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.872 0.844 . . . . 0.0 109.744 174.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -76.14 -21.28 56.77 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 173.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -53.51 -54.3 39.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.449 174.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -66.41 -28.68 68.81 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.787 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.1 -28.82 68.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.34 0.59 . . . . 0.0 109.914 173.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.432 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 23.6 m -81.78 -27.05 33.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.226 177.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -74.08 -35.52 64.24 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 172.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.639 HD12 HD12 ' A' ' 65' ' ' LEU . 55.7 tp -70.05 -22.42 63.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.127 174.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 60' ' ' THR . 28.6 t70 -64.12 -27.11 68.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.792 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -62.98 -44.03 97.17 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.584 175.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.639 HD12 HD12 ' A' ' 62' ' ' LEU . 91.2 mt . . . . . 0 C--N 1.327 -0.409 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo . . . . . 0 CA--C 1.511 -0.634 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.2 m -62.31 -36.58 82.59 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 173.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -61.15 -30.95 70.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.615 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -98.58 -49.14 4.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.094 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.477 ' HG3' HD11 ' A' ' 62' ' ' LEU . 48.0 tt0 -57.37 -44.55 84.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.815 0.341 . . . . 0.0 111.018 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.515 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 92.5 t -72.44 -41.31 64.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.403 -177.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.72 -41.65 97.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.402 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.6 -45.43 86.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.254 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -61.79 -34.24 75.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.297 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 82.8 mt-30 -56.63 -35.88 68.84 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.552 0.215 . . . . 0.0 111.065 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -69.41 -38.77 78.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.926 0.394 . . . . 0.0 110.261 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 55.9 ttt85 -63.99 -51.56 63.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.576 177.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.74 -37.38 87.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.208 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -61.69 -47.24 86.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.97 0.414 . . . . 0.0 110.406 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -61.27 -48.16 82.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.011 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 94.7 mt -60.62 -36.59 78.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.24 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -66.27 -31.92 73.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.538 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -73.44 -44.13 58.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -65.08 -28.13 69.25 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.021 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -70.07 -16.88 63.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.612 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -115.4 9.45 15.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 110.367 177.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.54 122.77 2.85 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.148 -177.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -115.35 155.5 27.23 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.2 tp -73.74 106.5 5.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.081 0.467 . . . . 0.0 109.935 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.46 ' HB3' HD12 ' A' ' 129' ' ' ILE . 52.8 t -128.21 142.16 43.66 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.882 -177.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.515 ' HG2' ' SD ' ' A' ' 27' ' ' MET . 29.3 Cg_endo -65.87 134.35 37.1 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 121.927 1.751 . . . . 0.0 111.122 175.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.19 130.66 42.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.945 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.598 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 50.6 mt -104.09 23.82 12.39 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.491 -176.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.6 p -113.19 -33.55 5.95 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.457 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -79.19 125.93 30.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.944 0.402 . . . . 0.0 110.176 176.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.01 -24.78 58.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.741 -173.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -74.59 -45.83 42.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -56.17 -45.3 79.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.121 174.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 14.9 mtp -69.21 -30.59 68.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.44 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -70.5 -41.08 73.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.752 0.31 . . . . 0.0 110.347 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -64.27 -38.35 90.75 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.68 -39.37 88.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.422 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.442 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 14.6 mtp85 -70.05 -19.38 63.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.891 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -118.49 19.16 13.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.237 0.541 . . . . 0.0 110.535 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -72.92 142.73 47.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.122 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -134.85 -179.32 5.53 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -70.78 77.21 0.52 Allowed Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.993 -0.623 . . . . 0.0 113.071 -175.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 119' ' ' GLY . 84.1 m -152.65 125.95 8.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.698 0.285 . . . . 0.0 110.452 178.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -72.48 -23.43 61.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.721 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.463 ' H ' HG22 ' A' ' 117' ' ' THR . . . -61.94 -34.14 87.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.248 176.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 120' ' ' LEU . 2.0 tt -66.42 -21.15 66.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.589 0.709 . . . . 0.0 109.905 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.488 HD23 HD12 ' A' ' 124' ' ' LEU . 87.1 mt -76.57 0.17 21.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.517 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -93.04 -27.68 16.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.143 172.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 43.7 p -82.14 -31.11 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.488 HD12 HD23 ' A' ' 121' ' ' LEU . 51.1 mt -73.81 111.43 8.96 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.161 172.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 63.7 mtt85 -78.33 73.6 4.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.831 0.824 . . . . 0.0 109.926 176.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.407 HD11 HD22 ' A' ' 121' ' ' LEU . 31.3 mt -76.6 127.39 32.72 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.572 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.536 HD12 ' HG3' ' A' ' 135' ' ' GLN . 24.3 pt -106.52 176.12 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.208 -175.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -96.63 111.22 23.45 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.46 HD12 ' HB3' ' A' ' 99' ' ' CYS . 38.1 mt -110.77 128.07 67.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.1 -174.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -91.2 120.47 32.15 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.424 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 9.8 p-10 26.62 -73.74 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.481 ' HA ' ' HD3' ' A' ' 48' ' ' ARG . 49.1 mttt -67.49 -15.74 63.83 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -171.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.444 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 110.16 18.14 8.95 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -171.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -83.07 119.29 24.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.865 -0.668 . . . . 0.0 110.178 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.536 ' HG3' HD12 ' A' ' 127' ' ' ILE . 49.6 tt0 -69.34 117.27 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.154 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 31.8 t -82.71 97.68 4.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.192 -177.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 23.1 m . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.979 177.57 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -23.21 66.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 179.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -80.6 -64.13 1.26 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.062 0.458 . . . . 0.0 110.736 174.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.1 -35.12 79.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.438 -171.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.11 -31.12 69.74 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -71.24 -40.95 70.74 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.258 0.551 . . . . 0.0 109.833 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.4 t -68.12 -36.23 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.986 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -62.13 -40.24 95.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.728 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.518 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 75.6 t80 -59.73 -43.39 94.23 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 178.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.49 ' O ' HG23 ' A' ' 31' ' ' VAL . 57.2 mtt -54.39 -50.6 67.16 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.315 174.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 111' ' ' LEU . 40.1 tt0 -54.77 -53.0 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.013 176.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -56.49 -42.29 78.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.13 -177.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 26' ' ' PHE . 79.7 t -62.44 -41.59 92.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.56 -179.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 27' ' ' MET . 47.8 t -71.39 -35.87 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.068 0.461 . . . . 0.0 111.039 -178.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -81.95 -23.17 36.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.375 -176.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 48.1 t -90.49 149.78 22.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.391 -177.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.56 -4.37 11.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.344 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.2 m -57.31 -45.83 83.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.773 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.506 ' HB3' ' HZ ' ' A' ' 42' ' ' PHE . 26.8 m-85 -136.14 17.45 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.208 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 33' ' ' SER . 32.9 ttpt -56.78 -28.89 62.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.852 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.01 -19.2 63.28 Favored Glycine 0 C--N 1.333 0.368 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.778 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -113.65 96.19 39.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -61.83 -31.92 85.41 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.849 2.366 . . . . 0.0 113.032 -174.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 105' ' ' ALA . 31.1 mm -119.9 147.26 23.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.787 0.327 . . . . 0.0 110.221 -179.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.616 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 64.5 m-85 -115.2 -156.82 0.62 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.796 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 11.6 t70 -157.05 174.78 14.99 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -178.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.449 ' O ' ' HB ' ' A' ' 47' ' ' THR . 15.7 m-70 -63.42 -22.69 67.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.006 0.431 . . . . 0.0 110.365 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.1 83.31 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.477 173.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.542 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 88.1 m-70 -82.9 -17.4 43.85 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.449 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 98.5 m -61.26 -61.8 2.3 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.86 172.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.469 ' HB3' ' C ' ' A' ' 132' ' ' LYS . 49.1 ptt85 -56.73 -42.88 80.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.147 179.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.542 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 29.2 mt-10 -49.91 -61.2 2.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.531 176.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.518 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 14.0 m-85 -74.3 -38.54 63.34 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -174.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.497 ' O ' HG13 ' A' ' 55' ' ' ILE . 34.9 mm -64.49 -46.33 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.939 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 85.2 mm-40 -63.43 -38.0 89.44 Favored 'General case' 0 N--CA 1.461 0.077 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 178.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.4 m -63.84 -37.48 87.55 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 110.661 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 22.4 t80 -67.1 -32.75 74.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 51' ' ' ILE . 68.9 mt -68.1 -29.09 43.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.261 0.553 . . . . 0.0 110.017 175.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 51.9 mt-10 -71.12 -24.59 62.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.434 175.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 54' ' ' PHE . 94.8 mtt180 -66.63 -27.91 68.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.227 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -68.97 -26.19 64.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.327 0.584 . . . . 0.0 109.857 174.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.451 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 13.7 t70 -73.38 -22.89 60.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.442 177.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.4 m -63.08 -36.52 83.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.097 0.475 . . . . 0.0 110.226 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -79.39 -21.43 45.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.332 0.586 . . . . 0.0 110.019 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.493 HD13 ' HB3' ' A' ' 82' ' ' LEU . 49.9 tp -71.26 -37.71 71.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.402 174.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.54 -22.67 60.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.234 176.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -66.73 -30.41 70.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.61 173.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.44 HD11 ' HB2' ' A' ' 82' ' ' LEU . 99.9 mt . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.692 173.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.501 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 38.6 Cg_exo . . . . . 0 C--O 1.23 0.118 0 CA-C-O 120.453 0.105 . . . . 0.0 112.127 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 80' ' ' VAL . 1.6 m -59.07 -52.88 63.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.013 0.435 . . . . 0.0 110.878 -178.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -71.37 -46.48 60.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.307 -174.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.501 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 79.5 mtt-85 -65.14 -37.83 88.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.308 -174.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -67.14 -38.27 85.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.054 0.454 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 76' ' ' SER . 92.0 t -70.58 -34.21 56.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.427 177.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.2 tp -59.94 -43.27 95.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.818 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.493 ' HB3' HD13 ' A' ' 62' ' ' LEU . 2.0 tm? -60.64 -47.01 88.13 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 175.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -54.39 -47.66 72.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.532 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -64.17 -38.82 92.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.716 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -66.66 -47.55 72.17 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.38 0.61 . . . . 0.0 110.325 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -60.7 -40.84 93.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.125 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.98 -36.83 84.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.232 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -60.65 -48.46 81.68 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.573 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -71.37 -31.26 67.12 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.481 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.06 -44.17 96.55 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -60.85 -44.02 97.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.127 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.05 -39.41 93.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.66 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.748 ' CE2' ' HA ' ' A' ' 131' ' ' ASP . 31.7 t80 -61.7 -38.56 88.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.172 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -78.04 3.05 15.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.045 0.45 . . . . 0.0 111.404 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.07 -2.51 34.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.083 0.468 . . . . 0.0 110.291 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.19 82.71 1.29 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.787 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.525 ' HB2' ' HD1' ' A' ' 93' ' ' PHE . 34.2 t80 -80.46 155.45 27.06 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -177.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 37.4 tp -78.25 96.06 5.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.119 0.485 . . . . 0.0 110.485 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.606 ' HB2' HD12 ' A' ' 129' ' ' ILE . 80.7 m -128.54 144.23 51.34 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.122 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.666 ' HA ' ' HA ' ' A' ' 126' ' ' LEU . 55.3 Cg_endo -71.49 164.0 37.16 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.086 1.857 . . . . 0.0 111.994 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.96 -43.49 98.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.24 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.616 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 17.1 tp 76.71 -18.68 0.47 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.369 173.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.796 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 4.0 p -106.56 13.92 27.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.159 0.504 . . . . 0.0 111.371 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 13.6 t70 -108.72 131.96 54.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.765 177.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.475 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -67.2 -40.87 86.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.8 0.333 . . . . 0.0 111.682 -176.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' A' ' 106' ' ' LYS . 8.2 mtmp? -68.18 -33.61 74.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.217 0.532 . . . . 0.0 109.706 178.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.499 ' HA ' ' HD2' ' A' ' 110' ' ' PHE . 6.1 t30 -57.47 -41.7 81.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.208 173.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 15.9 mmt -67.65 -29.31 68.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.474 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.99 -41.8 99.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.499 ' HD2' ' HA ' ' A' ' 107' ' ' ASN . 51.2 m-85 -60.99 -42.18 97.93 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.643 177.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 28' ' ' GLN . 9.6 mp -62.16 -47.8 82.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.822 0.344 . . . . 0.0 110.696 177.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -73.76 -0.44 15.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.45 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -117.9 1.13 12.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.608 176.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.468 ' HA ' HD13 ' A' ' 120' ' ' LEU . 19.8 t90 -74.06 108.57 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.413 0.625 . . . . 0.0 110.69 -175.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -93.32 -16.88 24.21 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.566 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 125.3 -12.18 7.57 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.33 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.557 HG22 ' H ' ' A' ' 119' ' ' GLY . 51.7 m -63.06 122.96 17.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.743 0.306 . . . . 0.0 110.923 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.571 ' HA ' HD23 ' A' ' 121' ' ' LEU . 54.0 t80 -65.53 -20.16 66.22 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.328 -178.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.557 ' H ' HG22 ' A' ' 117' ' ' THR . . . -62.01 -27.83 69.44 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 121.127 -0.558 . . . . 0.0 112.47 177.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 120' ' ' LEU . 2.7 tt -71.3 -21.15 62.11 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 121.176 0.513 . . . . 0.0 109.806 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 118' ' ' PHE . 4.5 mm? -73.32 -3.47 27.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.156 0.503 . . . . 0.0 110.807 -178.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -92.3 -35.7 13.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.733 172.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 39.6 p -86.96 -31.48 20.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.639 -175.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.491 ' HG ' ' CB ' ' A' ' 110' ' ' PHE . 1.9 tt -69.3 133.33 47.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.184 175.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.449 ' O ' ' HA ' ' A' ' 100' ' ' PRO . 40.9 ttm180 -78.06 85.49 4.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 0.0 111.451 -177.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.666 ' HA ' ' HA ' ' A' ' 100' ' ' PRO . 5.4 mp -103.81 128.07 51.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.684 171.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.427 HG13 HG13 ' A' ' 129' ' ' ILE . 18.9 pt -117.97 -171.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.156 -177.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 58.0 mtm180 -96.51 112.16 24.01 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.606 HD12 ' HB2' ' A' ' 99' ' ' CYS . 23.2 mt -114.42 133.9 59.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.241 -175.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.532 ' HB2' ' CG2' ' A' ' 136' ' ' VAL . 43.1 t-20 -106.12 109.22 21.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.427 -176.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.748 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 11.0 t0 58.45 -82.79 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 166.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.469 ' C ' ' HB3' ' A' ' 48' ' ' ARG . 14.0 mptt -90.97 29.75 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.492 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 82.46 17.05 69.62 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.6 176.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -81.03 135.81 35.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.151 0.5 . . . . 0.0 111.243 -174.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -62.16 118.87 7.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.369 177.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.532 ' CG2' ' HB2' ' A' ' 130' ' ' ASN . 94.1 t -93.0 127.18 45.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.366 -0.379 . . . . 0.0 109.992 173.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 24.1 m . . . . . 0 C--N 1.321 -0.635 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 176.839 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mmm . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.927 0.394 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -104.27 144.35 31.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.589 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -111.0 150.99 28.49 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 168.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -68.9 164.89 21.09 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -67.85 -27.91 67.1 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.047 0.451 . . . . 0.0 110.075 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.0 tt -83.2 133.18 29.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.098 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.44 160.51 17.5 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.81 102.79 0.5 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.997 0.427 . . . . 0.0 110.746 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.31 146.02 45.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.909 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -114.19 165.35 12.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.181 0.515 . . . . 0.0 112.064 -165.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -96.87 147.52 23.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.694 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mp -88.29 -31.65 18.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.97 0.414 . . . . 0.0 110.908 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -93.8 133.39 37.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.72 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -74.4 129.72 38.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.889 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -80.61 149.87 29.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.085 0.469 . . . . 0.0 111.11 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.571 ' HD2' ' HD1' ' A' ' 118' ' ' PHE . 54.2 mttp -89.47 145.17 25.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.188 173.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -89.41 157.46 18.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.034 0.445 . . . . 0.0 111.039 -174.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.5 m -64.84 -12.58 13.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.225 -174.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -63.66 -27.74 69.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.957 0.408 . . . . 0.0 109.935 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 2.3 mp0 -91.55 -51.58 5.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.16 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.44 ' HG ' HD11 ' A' ' 121' ' ' LEU . 7.2 mp -70.67 -45.7 64.6 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -171.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -27.42 68.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.033 0.444 . . . . 0.0 110.785 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.435 ' NH2' ' HA ' ' A' ' 20' ' ' GLU . 36.5 ttp180 -62.99 -47.43 83.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.38 177.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.3 t -69.51 -40.14 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.307 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -58.72 -40.49 83.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.536 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.43 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.3 t80 -60.62 -53.09 61.65 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.294 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.486 ' O ' HG23 ' A' ' 31' ' ' VAL . 55.9 mtt -56.15 -46.59 79.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.863 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -58.1 -54.95 41.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.953 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.15 -38.95 80.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.293 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 26' ' ' PHE . 49.4 t -60.7 -41.49 88.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.251 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 27' ' ' MET . 58.8 t -73.4 -37.83 51.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.056 0.455 . . . . 0.0 110.694 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.42 ' OD1' ' HG3' ' A' ' 112' ' ' ARG . 5.8 m-20 -79.22 -17.56 54.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.29 -173.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.57 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 75.6 p -100.63 166.4 10.92 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.71 1.35 6.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.7 0.286 . . . . 0.0 110.868 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.5 m -54.99 -55.38 31.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.332 175.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.402 ' HB2' HG12 ' A' ' 30' ' ' VAL . 40.9 m-85 -136.91 29.38 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.287 176.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.57 ' HB2' ' O ' ' A' ' 33' ' ' SER . 8.1 tmtm? -57.73 -32.52 67.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.715 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.91 -16.51 72.6 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.719 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -102.51 113.8 65.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.05 0.452 . . . . 0.0 109.987 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -76.59 -45.61 0.19 Allowed 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.282 1.988 . . . . 0.0 112.475 -178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.455 ' CG2' ' HA ' ' A' ' 103' ' ' SER . 35.5 mm -130.67 151.15 35.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.716 -175.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.682 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 98.7 m-85 -116.47 -170.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.834 0.349 . . . . 0.0 110.401 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -133.04 -171.64 2.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.98 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.695 ' O ' ' HB ' ' A' ' 47' ' ' THR . 15.6 m170 -78.7 -18.66 53.98 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -177.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.05 -42.39 66.34 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 173.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -68.65 -22.73 64.39 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.206 173.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.695 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 22.9 m -55.26 -63.54 1.13 Allowed 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.042 172.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.53 ' HD2' ' HD3' ' A' ' 132' ' ' LYS . 54.6 ttt85 -57.7 -38.71 75.68 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.655 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.19 -57.05 10.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.994 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -77.12 -38.02 52.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.816 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.9 mm -61.98 -47.94 90.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.693 0.283 . . . . 0.0 111.01 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -65.29 -39.51 92.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.597 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.5 m -61.27 -38.55 87.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.742 0.306 . . . . 0.0 110.883 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -63.52 -41.35 98.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.824 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.3 mt -75.38 -52.89 17.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.048 0.451 . . . . 0.0 110.544 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -71.94 -1.39 14.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.269 -173.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -53.75 -25.03 16.94 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.117 0.485 . . . . 0.0 110.309 170.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -62.43 -31.81 72.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.292 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.12 -31.77 66.33 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.465 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.8 m -63.94 -35.37 80.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.363 0.601 . . . . 0.0 109.785 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.65 -39.0 38.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.747 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.532 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 47.4 tp -64.01 -30.8 71.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.338 177.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.2 -34.31 74.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.32 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 32.5 mt-10 -66.91 -31.13 71.52 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.449 176.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.547 HD22 ' HG2' ' A' ' 75' ' ' PRO . 79.7 mt -72.14 -38.13 69.29 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 175.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 85.2 mttt -65.46 -26.8 68.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.88 175.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -74.23 -47.47 35.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.775 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 64' ' ' GLU . 87.6 mttt -73.41 -5.91 42.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.97 -176.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.4 ttp85 -59.07 -33.51 70.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.315 172.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.8 mtm105 -78.42 -12.32 60.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 m -79.27 2.41 21.4 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 175.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.5 t30 72.15 23.44 3.37 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.647 176.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.2 ttm105 -146.3 82.27 9.08 Favored Pre-proline 0 N--CA 1.449 -0.513 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.694 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.503 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 68.5 Cg_endo -91.37 139.72 2.46 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.775 2.317 . . . . 0.0 111.928 174.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.547 ' HG2' HD22 ' A' ' 65' ' ' LEU . 3.9 Cg_exo -74.39 91.43 0.96 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.63 2.22 . . . . 0.0 111.287 177.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.9 m -51.6 -42.78 62.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.154 -174.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -88.88 -49.8 6.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.587 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 78' ' ' ARG . 50.3 mtt180 -71.73 -27.56 63.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -169.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.46 ' HG3' HD11 ' A' ' 62' ' ' LEU . 53.3 tt0 -68.25 -33.61 74.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.148 0.499 . . . . 0.0 109.852 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.502 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 61.4 t -77.0 -45.48 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.93 176.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.3 tp -57.3 -41.77 80.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.297 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.05 -44.74 94.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.63 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 53.4 tt0 -67.2 -31.66 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.117 0.484 . . . . 0.0 110.908 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 96.5 mt-30 -66.46 -32.18 73.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.096 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -67.07 -36.47 82.09 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 83' ' ' GLN . 32.2 ttm180 -56.65 -46.11 81.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.379 176.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -56.69 -42.88 79.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.633 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -65.29 -47.61 76.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.396 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.87 -41.01 97.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.318 . . . . 0.0 111.056 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.9 mt -66.58 -31.45 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.649 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -69.98 -35.36 74.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.344 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -71.29 -37.18 71.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.758 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.694 ' HD1' ' HB2' ' A' ' 97' ' ' PHE . 41.5 t80 -64.43 -40.22 95.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.233 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.86 -20.71 65.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.651 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -99.48 16.88 21.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.374 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.06 94.12 1.18 Allowed Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.698 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.694 ' HB2' ' HD1' ' A' ' 93' ' ' PHE . 3.3 t80 -75.39 143.21 42.89 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 44.5 tp -73.73 94.15 2.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.141 0.496 . . . . 0.0 109.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 44.2 t -128.04 145.75 56.54 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.607 -175.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.607 ' HB3' HD21 ' A' ' 107' ' ' ASN . 18.1 Cg_exo -65.11 151.41 85.72 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.977 1.784 . . . . 0.0 110.107 169.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -63.7 -29.83 71.0 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.682 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 10.9 tp 73.75 1.67 4.0 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.841 170.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.455 ' HA ' ' CG2' ' A' ' 41' ' ' ILE . 57.8 m -116.16 -13.11 11.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.033 0.444 . . . . 0.0 111.57 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.5 ' O ' ' HG2' ' A' ' 108' ' ' MET . 12.0 t70 -83.8 119.62 25.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.049 176.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.46 -19.98 62.15 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -173.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -74.09 -50.11 21.01 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.607 HD21 ' HB3' ' A' ' 100' ' ' PRO . 43.2 t30 -58.35 -45.29 88.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.622 176.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.529 ' SD ' HD12 ' A' ' 102' ' ' LEU . 91.3 mmm -64.31 -29.99 71.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.006 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -78.34 -38.21 42.64 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.04 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -63.16 -39.74 95.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.037 0.446 . . . . 0.0 109.92 171.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.65 -35.69 74.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.224 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.42 ' HG3' ' OD1' ' A' ' 32' ' ' ASN . 51.1 ttp180 -70.51 -31.76 68.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.988 176.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -97.62 19.44 13.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.798 -173.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.613 ' HA ' HD13 ' A' ' 120' ' ' LEU . 45.1 t90 -72.18 103.4 3.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.18 0.514 . . . . 0.0 110.296 176.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -93.24 36.37 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.597 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 68.95 39.48 85.11 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.471 -0.871 . . . . 0.0 111.01 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.745 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 7.6 m -98.49 131.09 45.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.536 -0.332 . . . . 0.0 110.627 -175.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.571 ' HD1' ' HD2' ' A' ' 16' ' ' LYS . 93.5 m-85 -79.0 -39.63 33.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.504 -177.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.6 -26.78 72.08 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.072 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.745 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 0.9 OUTLIER -68.15 -20.73 64.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.261 0.553 . . . . 0.0 109.987 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.44 HD11 ' HG ' ' A' ' 21' ' ' LEU . 97.1 mt -77.12 -2.57 34.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.735 -178.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -106.86 -22.69 12.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.263 0.554 . . . . 0.0 109.654 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 48.4 p -88.73 -12.62 41.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.882 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 120' ' ' LEU . 79.7 mt -76.07 153.59 36.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.664 177.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 125' ' ' ARG . 21.3 ttt180 -83.93 73.41 10.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.649 0.738 . . . . 0.0 109.234 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 83.9 mt -97.98 127.84 44.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.568 -176.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 19.6 pt -129.02 -179.25 2.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.998 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.503 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 10.7 mtp180 -100.32 116.52 32.48 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 176.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.575 HG21 HG21 ' A' ' 47' ' ' THR . 40.6 mt -114.9 132.44 64.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.31 -175.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -113.87 135.7 53.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.311 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.415 ' OD2' ' HG2' ' A' ' 132' ' ' LYS . 29.3 t0 56.98 -93.76 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 169.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.53 ' HD3' ' HD2' ' A' ' 48' ' ' ARG . 43.7 mmtm -101.23 14.93 30.43 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -171.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.675 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 103.47 32.39 4.56 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 119.876 -1.154 . . . . 0.0 111.166 -176.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -84.4 141.99 30.45 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -177.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -78.2 113.92 16.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.62 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 59.5 t -93.92 115.39 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.344 178.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.2 m -123.87 150.54 28.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.116 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -72.99 -26.57 70.72 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.167 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 127.71 86.73 0.55 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.461 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -114.66 5.26 15.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.098 0.475 . . . . 0.0 110.607 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.492 -0.766 . . . . 0.0 109.812 179.485 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 120.641 0.258 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -102.45 22.26 13.77 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -173.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.24 165.0 28.57 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.663 -175.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.38 136.06 44.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.496 170.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -69.48 -40.95 76.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.043 0.449 . . . . 0.0 110.087 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.539 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 9.0 pt -120.63 95.05 3.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.366 172.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.3 -53.06 3.46 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.304 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.99 -31.74 72.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.942 0.401 . . . . 0.0 110.826 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -100.85 17.48 22.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.085 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 82.3 tttt -84.57 -13.5 51.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.448 0.642 . . . . 0.0 109.581 177.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -119.15 131.93 55.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.331 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.7 mt -76.93 118.99 20.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.902 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -105.83 99.05 8.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.69 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -93.3 147.95 22.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.188 0.518 . . . . 0.0 111.325 -178.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -102.99 106.27 16.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.323 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -92.46 -17.73 24.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.183 -172.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -93.22 10.62 31.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.35 0.595 . . . . 0.0 109.847 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.416 HG22 ' HB2' ' A' ' 22' ' ' ALA . 9.2 p -59.69 -13.47 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.495 -178.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -53.43 -31.11 43.78 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.027 0.442 . . . . 0.0 110.441 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.608 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 44.9 mm-40 -95.11 -35.66 11.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.028 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 118' ' ' PHE . 5.9 mp -83.12 -26.81 30.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -170.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' HB2' HG22 ' A' ' 18' ' ' VAL . . . -56.5 -30.21 62.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.164 0.507 . . . . 0.0 110.909 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.608 ' NH2' ' HA ' ' A' ' 20' ' ' GLU . 2.2 ptp180 -75.82 -35.38 60.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.524 -177.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.43 -41.02 42.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.009 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -67.56 -35.8 79.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.303 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.509 ' O ' HG23 ' A' ' 30' ' ' VAL . 83.3 t80 -61.16 -49.27 77.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.365 176.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.6 mtt -58.04 -41.78 83.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.881 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -61.01 -44.96 96.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.979 0.419 . . . . 0.0 110.857 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -61.66 -44.11 97.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.446 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.81 HG12 ' HB2' ' A' ' 36' ' ' PHE . 58.9 t -68.8 -39.44 80.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.068 -174.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.0 m -74.02 -27.36 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 120.929 0.395 . . . . 0.0 111.506 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -84.11 -20.7 32.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.258 0.552 . . . . 0.0 110.655 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 36.8 t -89.93 159.91 16.69 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.718 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -72.13 -5.0 32.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.64 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.481 HG22 ' HD2' ' A' ' 36' ' ' PHE . 72.0 m -52.9 -56.48 15.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.728 174.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.81 ' HB2' HG12 ' A' ' 30' ' ' VAL . 10.4 m-85 -136.36 25.96 3.18 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 33' ' ' SER . 36.4 ttpt -66.89 -12.6 59.89 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.432 0.634 . . . . 0.0 110.0 176.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.36 -20.45 76.85 Favored Glycine 0 C--N 1.334 0.428 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.23 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -116.06 97.3 49.15 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 120.54 0.21 . . . . 0.0 110.508 176.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.24 -28.32 72.68 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.371 2.047 . . . . 0.0 111.147 175.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' ' 102' ' ' LEU . 33.7 mm -124.36 130.38 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.342 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -90.07 142.08 28.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.439 0.638 . . . . 0.0 111.816 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.42 ' CG ' ' HD1' ' A' ' 46' ' ' HIS . 2.1 p30 -82.85 173.24 12.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.364 172.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.645 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 25.2 m170 -86.94 -14.35 42.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.573 -173.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.2 -49.01 60.43 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 172.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.42 ' HD1' ' CG ' ' A' ' 43' ' ' ASP . 50.1 m80 -69.03 -22.09 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.375 174.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.539 ' OG1' ' HA ' ' A' ' 44' ' ' HIS . 53.8 m -58.92 -54.81 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 171.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -60.09 -40.06 88.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.07 0.462 . . . . 0.0 110.024 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.41 -49.35 76.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.602 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -69.04 -46.56 67.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.619 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 47' ' ' THR . 68.9 mt -58.45 -49.44 82.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.956 0.408 . . . . 0.0 110.892 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -64.9 -35.25 80.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.757 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.7 t -66.52 -33.21 75.17 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.103 0.477 . . . . 0.0 110.242 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -62.37 -47.63 83.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.189 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.4 mt -74.29 -17.43 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 121.711 0.767 . . . . 0.0 110.286 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.868 ' HA ' HH21 ' A' ' 86' ' ' ARG . 33.2 tt0 -80.57 -21.82 41.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.595 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.604 ' HD3' ' O ' ' A' ' 57' ' ' ARG . 3.5 tmt_? -59.4 -23.98 63.07 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.65 178.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -68.39 -9.29 47.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.124 -0.36 . . . . 0.0 111.698 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -30.71 70.86 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.8 m -63.71 -37.9 89.07 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.26 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.72 -45.72 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.118 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.474 ' HG ' ' HE2' ' A' ' 66' ' ' LYS . 24.2 tp -64.49 -33.5 76.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.839 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.86 -44.13 97.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.708 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -69.4 -27.67 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.179 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.88 -31.83 72.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.345 0.593 . . . . 0.0 109.691 173.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.474 ' HE2' ' HG ' ' A' ' 62' ' ' LEU . 60.8 mttm -80.49 -11.19 59.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.553 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -99.26 -32.68 11.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.656 -176.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.04 -1.93 34.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 111.835 -175.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -139.54 172.53 12.67 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -73.82 140.42 45.79 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.3 -0.56 . . . . 0.0 109.644 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.1 m -57.4 -17.62 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -172.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -63.4 -39.2 93.86 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.346 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -157.43 88.59 2.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 121.653 0.74 . . . . 0.0 111.37 175.513 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.64 ' HB2' HE21 ' A' ' 79' ' ' GLN . 2.8 Cg_exo -77.66 178.69 7.3 Favored 'Trans proline' 0 CA--C 1.534 0.505 0 C-N-CA 123.223 2.615 . . . . 0.0 110.978 173.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.655 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 1.5 Cg_endo -47.62 101.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.08 2.52 . . . . 0.0 113.017 177.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.7 m -67.82 -29.44 68.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.589 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -86.7 -42.14 13.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.349 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.655 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 65.1 mtt-85 -70.87 -31.57 68.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -175.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.64 HE21 ' HB2' ' A' ' 74' ' ' PRO . 64.2 mt-30 -65.66 -38.79 90.32 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 94.6 t -71.32 -40.97 74.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.201 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.5 tp -60.04 -40.55 89.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.505 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.8 -43.81 74.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.237 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -56.6 -40.57 75.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.937 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 97.6 mt-30 -60.03 -38.72 83.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.476 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.595 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 5.1 ttp180 -74.15 -37.65 63.96 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.868 HH21 ' HA ' ' A' ' 56' ' ' GLU . 43.2 ttt180 -68.52 -34.82 76.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.527 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -65.52 -38.51 89.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.165 0.507 . . . . 0.0 109.88 174.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.424 ' HB3' ' O ' ' A' ' 85' ' ' ARG . 27.8 tt0 -58.91 -39.46 81.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.562 176.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 3.9 mm-40 -62.41 -46.36 88.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.892 177.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.42 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.4 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -57.39 -46.26 83.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.675 176.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.83 -36.49 72.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.299 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 1.008 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 47.0 t80 -65.45 -46.52 79.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.319 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.545 ' HD3' ' O ' ' A' ' 94' ' ' LYS . 9.2 tmtm? -70.3 -20.78 62.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.233 0.54 . . . . 0.0 110.222 -177.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.32 4.66 53.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.471 176.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.26 89.49 2.11 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.067 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 1.008 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 17.1 t80 -78.47 141.44 38.24 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -178.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 127' ' ' ILE . 30.3 tp -74.14 93.4 2.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.079 0.466 . . . . 0.0 111.325 -176.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.612 ' HB2' HD12 ' A' ' 129' ' ' ILE . 75.7 m -128.18 159.31 67.76 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.19 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.26 147.06 71.52 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.472 2.114 . . . . 0.0 111.455 175.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 103' ' ' SER . 3.4 m-20 -53.33 -36.28 61.12 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.251 176.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 41' ' ' ILE . 20.9 mt 71.45 -26.78 0.17 Allowed 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 114.717 -1.129 . . . . 0.0 112.519 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 101' ' ' ASP . 20.8 m -85.99 17.36 3.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.108 0.48 . . . . 0.0 110.781 -175.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -126.79 136.64 52.67 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.233 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.21 -30.41 57.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.868 -174.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 106' ' ' LYS . 29.0 mmtp -79.31 -32.73 43.56 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -58.53 -50.91 72.06 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 170.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 43.5 tpp -61.8 -30.34 70.75 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.309 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.462 ' HG3' ' NH2' ' A' ' 112' ' ' ARG . 33.8 tt0 -65.01 -52.63 55.01 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 122.181 -0.324 . . . . 0.0 110.608 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.496 ' HB3' HD23 ' A' ' 124' ' ' LEU . 29.4 m-85 -58.0 -39.97 79.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.988 0.423 . . . . 0.0 110.638 176.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.72 -38.0 85.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.782 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.462 ' NH2' ' HG3' ' A' ' 109' ' ' GLU . 29.0 ttp85 -72.64 -41.36 65.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.428 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -86.57 7.69 25.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.318 0.58 . . . . 0.0 110.537 -176.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -68.42 141.64 55.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.821 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -127.53 -170.16 2.18 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -73.39 62.32 1.85 Allowed Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.877 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.5 m -131.5 105.41 7.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.968 0.413 . . . . 0.0 110.174 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.429 ' HB3' HD21 ' A' ' 21' ' ' LEU . 11.6 p90 -69.71 -16.35 63.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.439 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -73.94 -10.41 80.68 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.336 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.8 mt -83.67 -0.98 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 124' ' ' LEU . 58.6 mt -78.26 -12.25 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.166 0.507 . . . . 0.0 110.37 178.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -94.2 -24.87 17.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.979 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 63.1 p -82.74 -32.27 27.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.211 0.529 . . . . 0.0 110.231 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.503 HD12 HD23 ' A' ' 121' ' ' LEU . 20.3 mt -63.86 139.14 58.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.854 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -75.95 93.97 3.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.421 173.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 80.1 mt -118.81 137.48 53.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.158 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 98' ' ' LEU . 43.9 pt -123.17 -173.09 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.265 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.568 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 42.1 mtp180 -104.57 119.36 38.8 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 175.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.612 HD12 ' HB2' ' A' ' 99' ' ' CYS . 38.2 mt -110.41 132.63 58.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -178.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -127.24 144.48 51.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.35 -175.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 62.82 -78.34 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 172.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -134.86 36.1 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.906 0.384 . . . . 0.0 111.77 -171.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.645 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 92.34 17.78 44.87 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 119.939 -1.125 . . . . 0.0 111.994 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -80.67 137.84 36.34 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -79.83 117.35 20.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.022 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.568 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 59.2 t -82.28 112.45 20.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.393 -176.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 18.4 m -116.31 167.9 8.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 171.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -101.58 -150.77 23.95 Favored Glycine 0 N--CA 1.442 -0.954 0 C-N-CA 120.302 -0.951 . . . . 0.0 111.68 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -86.09 -9.15 77.51 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -85.71 -31.57 22.39 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.474 -178.449 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.4 mtp . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 120.636 0.255 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.415 ' NH1' ' HG3' ' A' ' 3' ' ' GLU . 5.5 ppt_? -117.44 7.59 12.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.108 0.48 . . . . 0.0 110.498 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.415 ' HG3' ' NH1' ' A' ' 2' ' ' ARG . 1.6 mp0 -89.81 2.91 54.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.647 178.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -89.06 135.92 33.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.016 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.67 94.11 5.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.199 0.523 . . . . 0.0 110.963 -178.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.3 mt -84.36 135.93 23.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.903 178.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.67 173.67 11.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.967 0.413 . . . . 0.0 111.468 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.66 167.12 19.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.844 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -86.47 37.89 0.76 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.507 -176.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -138.66 145.7 40.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.869 0.366 . . . . 0.0 110.909 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -123.87 170.2 10.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.547 172.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.6 mt -89.59 -18.96 25.57 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.729 0.299 . . . . 0.0 111.06 -175.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 70.48 10.44 7.18 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.521 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 58.13 53.92 6.28 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.975 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -88.86 -3.5 58.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.34 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -69.0 120.36 14.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.736 -177.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 17' ' ' ARG . 52.0 mtt-85 -98.21 -169.02 1.74 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.196 0.522 . . . . 0.0 111.241 -177.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 18' ' ' VAL . 29.2 t -95.69 -0.86 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.975 174.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -70.8 -36.33 72.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.323 0.582 . . . . 0.0 109.892 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -81.36 -27.24 34.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.477 175.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.3 mt -74.98 -36.8 62.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.143 0.497 . . . . 0.0 110.205 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.28 -19.88 62.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.251 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -42.94 93.05 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.487 HG22 ' HG3' ' A' ' 100' ' ' PRO . 69.6 t -70.59 -42.76 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.291 178.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.2 tttm -61.13 -41.04 96.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.89 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.3 t80 -59.57 -47.49 85.34 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 176.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.648 ' O ' HG23 ' A' ' 31' ' ' VAL . 66.2 mtt -59.56 -48.12 82.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.49 178.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.573 ' HG3' ' HA ' ' A' ' 112' ' ' ARG . 38.4 tt0 -55.78 -47.11 77.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.999 0.428 . . . . 0.0 110.328 178.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.98 -46.68 88.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.347 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.484 HG12 ' HB2' ' A' ' 36' ' ' PHE . 77.2 t -62.73 -43.18 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.654 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 27' ' ' MET . 61.2 t -61.65 -36.11 71.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.362 0.601 . . . . 0.0 110.444 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.613 HD21 ' HG3' ' A' ' 112' ' ' ARG . 53.9 m-80 -94.51 3.58 54.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.888 -178.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.8 t -100.01 150.42 22.45 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 1.029 ' HA ' ' HB2' ' A' ' 37' ' ' LYS . 21.7 m-20 -70.45 -4.51 22.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.221 0.534 . . . . 0.0 110.384 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.448 HG22 ' CD1' ' A' ' 36' ' ' PHE . 26.3 m -58.12 -44.64 87.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.445 172.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.484 ' HB2' HG12 ' A' ' 30' ' ' VAL . 50.2 m-85 -138.32 30.88 2.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.559 0.695 . . . . 0.0 109.966 177.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 1.029 ' HB2' ' HA ' ' A' ' 34' ' ' ASP . 17.0 tptm -52.78 -35.13 56.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.021 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.32 15.29 63.59 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.031 -176.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -116.28 94.52 42.66 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 178.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' O ' ' HG2' ' A' ' 108' ' ' MET . 29.0 Cg_exo -62.67 -48.07 7.89 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.919 2.413 . . . . 0.0 112.267 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.7 mm -115.97 148.91 18.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.517 ' CE1' HG22 ' A' ' 31' ' ' VAL . 42.4 m-85 -111.94 127.93 56.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.362 0.601 . . . . 0.0 111.366 -176.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.31 155.41 21.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.183 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -62.54 -24.89 67.75 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 48' ' ' ARG . . . -68.16 -35.31 77.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.42 173.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -74.75 -38.66 62.18 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.49 HG21 HD13 ' A' ' 129' ' ' ILE . 87.2 m -56.59 -51.13 69.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.181 0.515 . . . . 0.0 110.045 171.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 1.013 ' HG3' ' HB3' ' A' ' 132' ' ' LYS . 14.0 ttt180 -42.69 -52.05 5.05 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.805 174.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -73.08 -43.28 62.05 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.169 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.69 -44.45 96.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 47' ' ' THR . 68.5 mt -61.13 -49.24 85.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.403 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -64.2 -44.08 93.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.812 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.4 t -66.87 -33.52 75.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.342 -177.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -64.0 -40.23 95.9 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.692 HG23 ' HB2' ' A' ' 86' ' ' ARG . 83.6 mt -63.13 -42.17 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.181 176.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.3 -19.04 63.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.575 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.429 HH21 ' HA ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -71.11 -30.26 66.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.437 179.563 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.429 ' HA ' HH21 ' A' ' 57' ' ' ARG . 11.9 t70 -67.08 -31.73 72.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.339 0.59 . . . . 0.0 110.13 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.06 -23.13 67.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.506 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.2 m -74.83 -26.99 60.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.514 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.456 ' CD ' HH12 ' A' ' 85' ' ' ARG . 54.3 tt0 -82.66 -33.18 27.85 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 174.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.709 ' HB2' HD12 ' A' ' 82' ' ' LEU . 54.5 tp -62.18 -32.03 72.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.016 172.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.6 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -63.41 -31.16 72.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.636 -179.094 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.678 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 6.1 mm-40 -60.15 -38.49 83.27 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.38 175.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 98.1 mt -73.7 -29.78 62.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.558 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.478 ' CD ' ' HA ' ' A' ' 63' ' ' ASP . 83.1 mttt -64.26 -48.68 74.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.54 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' A' ' 63' ' ' ASP . 5.4 ptmm? -73.69 -14.28 61.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.236 -176.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.678 ' HG3' ' O ' ' A' ' 64' ' ' GLU . 83.9 mttt -71.14 -17.41 62.56 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.294 0.569 . . . . 0.0 109.849 174.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.7 ttm-85 -71.75 -27.38 62.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.8 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -72.77 -23.86 60.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.38 0.61 . . . . 0.0 109.668 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 m -80.59 4.02 19.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.632 174.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 t30 73.98 25.66 1.85 Allowed 'General case' 0 CA--C 1.523 -0.068 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.855 177.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.513 ' HA ' ' NE ' ' A' ' 73' ' ' ARG . 0.4 OUTLIER -119.01 84.76 27.41 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.16 173.818 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 74.3 Cg_endo -79.44 116.65 3.61 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.413 2.075 . . . . 0.0 112.481 178.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 74' ' ' PRO . 10.0 Cg_endo -88.5 107.24 0.51 Allowed 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.055 2.503 . . . . 0.0 111.782 176.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.5 m -73.14 -72.8 0.23 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.968 0.413 . . . . 0.0 110.568 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -76.49 -35.04 58.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.948 -176.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -65.59 -29.83 70.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.606 -174.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -73.52 -34.52 65.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.091 0.472 . . . . 0.0 109.809 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.482 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 62.1 t -66.93 -39.99 84.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.068 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -55.56 -39.88 71.22 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.301 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.709 HD12 ' HB2' ' A' ' 62' ' ' LEU . 1.6 tm? -67.28 -53.84 26.17 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 87' ' ' ASP . 46.0 tt0 -51.32 -38.49 53.28 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.448 -178.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 26.7 mt-30 -60.12 -25.05 65.17 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -177.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.456 HH12 ' CD ' ' A' ' 61' ' ' GLU . 97.8 mtt180 -49.21 -64.1 0.91 Allowed 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.714 0.769 . . . . 0.0 110.134 177.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.692 ' HB2' HG23 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -91.61 -6.3 52.49 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.227 -172.403 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 83' ' ' GLN . 0.5 OUTLIER -76.82 -36.89 56.57 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 172.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -66.83 -39.99 87.85 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.182 170.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 93' ' ' PHE . 42.3 mt-10 -59.92 -33.21 71.58 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.93 176.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 85.4 mt -69.7 -33.29 72.32 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.043 0.449 . . . . 0.0 110.722 176.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -64.88 -40.67 95.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.289 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -83.45 -26.08 30.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.166 0.508 . . . . 0.0 110.078 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.482 ' HB3' ' O ' ' A' ' 90' ' ' LEU . 68.2 t80 -52.12 -42.17 63.09 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.217 1.007 . . . . 0.0 110.372 174.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -62.1 -30.77 71.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.782 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -111.18 14.42 21.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.83 0.347 . . . . 0.0 111.109 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.572 ' HA2' ' HA ' ' A' ' 130' ' ' ASN . . . 87.85 124.85 2.12 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.079 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -95.82 154.78 17.05 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 54.7 tp -75.27 98.63 3.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.031 0.444 . . . . 0.0 111.005 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.471 ' HB2' HD12 ' A' ' 129' ' ' ILE . 71.7 m -128.6 145.24 55.26 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.257 177.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.836 ' HA ' ' HA ' ' A' ' 126' ' ' LEU . 33.7 Cg_endo -67.08 150.84 82.42 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.351 2.034 . . . . 0.0 112.613 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.23 109.98 8.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.098 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.548 HD21 ' SD ' ' A' ' 27' ' ' MET . 34.8 mt -92.16 0.86 57.47 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -177.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.8 p -98.26 12.11 35.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.949 0.404 . . . . 0.0 111.552 -175.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.421 ' HB3' ' ND2' ' A' ' 107' ' ' ASN . 23.5 t70 -127.4 137.98 52.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.319 176.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.4 -26.4 55.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -174.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.436 ' HD3' ' H ' ' A' ' 106' ' ' LYS . 3.4 mppt? -77.73 -36.22 51.07 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.523 HD21 ' HD3' ' A' ' 125' ' ' ARG . 94.2 m-20 -63.73 -45.16 91.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.135 174.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.427 ' SD ' HG21 ' A' ' 31' ' ' VAL . 39.8 tpp -62.54 -33.85 75.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.925 0.393 . . . . 0.0 110.457 175.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.13 -51.06 69.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.238 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -64.55 -33.65 76.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.737 0.303 . . . . 0.0 110.863 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.452 ' HG ' HG13 ' A' ' 24' ' ' VAL . 9.9 tt -66.83 -40.47 88.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.544 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.613 ' HG3' HD21 ' A' ' 32' ' ' ASN . 58.9 ttt180 -77.94 -33.09 51.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.142 0.496 . . . . 0.0 110.491 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -87.37 19.21 3.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.704 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.659 ' HA ' HD13 ' A' ' 120' ' ' LEU . 16.7 t90 -68.18 112.14 4.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.115 0.483 . . . . 0.0 109.784 178.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -86.56 -2.09 58.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.309 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.25 -0.36 60.1 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.449 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.8 t -82.41 141.59 32.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.574 ' HA ' HD23 ' A' ' 121' ' ' LEU . 67.5 t80 -72.42 -25.01 61.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.185 -177.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.89 -26.06 68.46 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.268 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.659 HD13 ' HA ' ' A' ' 114' ' ' TRP . 1.6 mt -69.02 -16.46 63.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.093 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 118' ' ' PHE . 4.2 mm? -81.15 -9.06 59.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.047 0.451 . . . . 0.0 110.408 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -93.44 -19.01 21.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.772 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.524 ' OG1' HD23 ' A' ' 120' ' ' LEU . 71.4 p -98.15 -33.5 11.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.427 0.632 . . . . 0.0 110.202 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 120' ' ' LEU . 0.5 OUTLIER -71.48 130.06 40.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.468 176.229 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.523 ' HD3' HD21 ' A' ' 107' ' ' ASN . 8.3 ttt180 -81.77 95.13 7.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.304 0.574 . . . . 0.0 111.075 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.836 ' HA ' ' HA ' ' A' ' 100' ' ' PRO . 8.8 mp -98.61 130.46 45.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.146 171.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 20.6 pt -126.18 -172.85 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.087 0.47 . . . . 0.0 111.165 -173.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.543 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 10.8 mmm180 -96.96 122.12 39.6 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.49 HD13 HG21 ' A' ' 47' ' ' THR . 37.9 mt -118.9 121.22 66.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.007 0.432 . . . . 0.0 110.25 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.572 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . 23.7 t-20 -91.54 136.18 33.31 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.881 -172.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.7 t70 52.94 -97.13 0.06 Allowed 'General case' 0 CA--C 1.531 0.228 0 O-C-N 124.39 1.056 . . . . 0.0 111.618 173.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 1.013 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . 63.5 mttm -126.68 80.76 1.96 Allowed 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.896 -0.503 . . . . 0.0 111.114 -176.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 74.49 22.38 77.44 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.6 -0.727 . . . . 0.0 113.763 172.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -95.08 132.28 40.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.109 0.455 . . . . 0.0 110.322 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -67.42 131.37 45.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.241 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.543 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 20.1 t -125.73 101.28 8.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.144 171.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 54.4 t -87.25 -49.28 14.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 173.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 79.72 -56.6 4.51 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.298 -0.864 . . . . 0.0 113.179 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 72.9 47.52 24.87 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -174.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -132.91 121.64 23.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.896 0.379 . . . . 0.0 111.22 -173.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--O 1.245 0.821 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 172.332 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HB2' ' H ' ' A' ' 2' ' ' ARG . 46.4 mtm . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.406 ' H ' ' HB2' ' A' ' 1' ' ' MET . 75.6 ttt180 -98.27 -22.45 16.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 173.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -107.37 147.99 29.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.167 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -82.35 -6.52 59.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.87 -173.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -124.21 154.23 40.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.891 0.377 . . . . 0.0 111.052 -176.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.9 mt -102.59 137.21 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.839 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.95 134.13 35.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.751 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.76 153.68 41.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.172 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -86.65 -1.15 57.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.0 0.428 . . . . 0.0 110.897 -178.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 42.2 mmtm -132.84 127.48 34.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.527 174.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -109.57 114.29 27.78 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.789 -174.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.5 mt -80.14 153.98 28.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.237 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -71.41 -24.28 62.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.932 0.396 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -101.96 124.63 47.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.01 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -88.12 174.29 8.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.26 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -74.52 92.83 2.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.062 0.458 . . . . 0.0 109.883 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -97.93 103.7 15.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.805 -174.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.512 ' HA ' ' HB2' ' A' ' 21' ' ' LEU . 35.7 t -80.94 -9.66 12.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.098 173.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -53.08 -43.71 66.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.466 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -87.07 -31.84 20.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.663 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.512 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 85.7 mt -58.08 -43.22 86.93 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.831 0.348 . . . . 0.0 111.002 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.98 -30.65 68.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.631 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.447 ' NH1' ' HZ ' ' A' ' 97' ' ' PHE . 63.8 mtt85 -73.95 -39.05 64.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.854 0.359 . . . . 0.0 110.296 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -67.52 -37.91 79.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.238 0.542 . . . . 0.0 109.601 174.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -57.37 -46.19 83.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.415 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -57.36 -40.8 78.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.731 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.567 ' O ' HG23 ' A' ' 31' ' ' VAL . 59.7 mtt -67.46 -43.64 80.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.129 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.8 tm0? -62.5 -43.23 99.32 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -60.33 -52.14 66.52 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.995 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 27' ' ' MET . 10.5 p -64.14 -34.1 66.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -174.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 27' ' ' MET . 81.4 t -62.9 -37.94 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.465 0.65 . . . . 0.0 109.964 175.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -96.32 6.32 49.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.788 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.488 ' HB3' ' HA ' ' A' ' 30' ' ' VAL . 45.8 t -102.11 142.47 33.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.439 -178.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -61.46 -17.1 52.92 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.228 -176.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.0 m -59.66 -36.98 77.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.252 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.401 ' HB2' HG22 ' A' ' 30' ' ' VAL . 41.8 m-85 -143.68 24.8 1.69 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.668 0.271 . . . . 0.0 111.364 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 33' ' ' SER . 61.6 tttm -64.86 -24.91 67.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.987 0.423 . . . . 0.0 110.721 -177.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.23 -17.56 72.27 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.745 178.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -110.4 107.81 58.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 110.425 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.0 -34.41 38.29 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.755 2.303 . . . . 0.0 112.262 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 37.3 mm -123.3 147.39 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.153 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.405 ' HB2' ' HB3' ' A' ' 102' ' ' LEU . 50.2 m-85 -103.52 -165.32 1.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.722 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.525 ' H ' ' HB2' ' A' ' 46' ' ' HIS . 4.3 m-20 -132.17 169.47 16.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.085 -172.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.525 ' O ' ' HB ' ' A' ' 47' ' ' THR . 17.6 m-70 -70.93 -31.96 68.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.018 0.437 . . . . 0.0 110.024 177.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.15 -39.74 78.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.968 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.525 ' HB2' ' H ' ' A' ' 43' ' ' ASP . 4.7 m80 -65.75 -29.43 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.74 175.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.525 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 72.6 m -55.3 -58.39 7.93 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 170.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.545 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 22.8 ttt180 -52.54 -46.72 66.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.333 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.55 -51.56 68.07 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.574 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -69.21 -39.87 78.34 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.5 mm -62.67 -47.62 92.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.169 0.509 . . . . 0.0 109.759 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -66.08 -31.4 72.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.81 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 t -62.11 -39.94 94.2 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.262 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -69.62 -33.22 72.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.978 0.418 . . . . 0.0 110.007 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.421 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 67.6 mt -70.71 -34.92 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.175 0.512 . . . . 0.0 110.072 175.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -68.98 -21.86 64.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.573 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -55.43 -29.14 58.05 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.358 174.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.619 ' HB2' HH22 ' A' ' 85' ' ' ARG . 2.1 t70 -56.83 -36.56 70.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.273 177.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.493 ' HB2' HH12 ' A' ' 86' ' ' ARG . 19.8 t70 -68.5 -16.8 64.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.379 -176.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.8 m -76.31 -36.1 58.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.115 0.483 . . . . 0.0 109.96 175.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.04 -40.73 37.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.459 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.532 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 38.3 tp -65.21 -29.18 69.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.564 177.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -53.61 -41.52 66.73 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.142 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.627 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 11.0 mm-40 -56.12 -45.86 79.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.825 176.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.51 HD21 ' HD2' ' A' ' 78' ' ' ARG . 85.9 mt -71.61 -24.83 61.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.961 -177.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 92.3 mttt -68.38 -42.25 79.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.386 0.612 . . . . 0.0 109.784 174.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -71.32 -28.18 63.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.146 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.627 ' HG3' ' O ' ' A' ' 64' ' ' GLU . 48.8 mttm -86.7 10.82 14.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.391 -177.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.543 ' HA ' ' HG3' ' A' ' 74' ' ' PRO . 55.4 mtt180 -75.49 88.37 2.66 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 172.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -129.12 -172.68 2.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.54 -176.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.6 t -77.34 1.6 18.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.223 0.535 . . . . 0.0 110.056 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -84.94 3.92 36.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.372 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 70.79 104.69 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.307 0 O-C-N 123.992 0.808 . . . . 0.0 110.304 -177.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.543 ' HG3' ' HA ' ' A' ' 69' ' ' ARG . 36.1 Cg_exo -60.97 154.96 52.84 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.005 2.47 . . . . 0.0 112.57 -177.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.51 ' HB2' ' HB3' ' A' ' 78' ' ' ARG . 13.3 Cg_exo -70.0 84.88 0.67 Allowed 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.743 2.295 . . . . 0.0 112.235 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.1 p -59.15 -49.23 78.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.992 0.425 . . . . 0.0 110.258 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -56.23 -57.0 14.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.094 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.51 ' HB3' ' HB2' ' A' ' 75' ' ' PRO . 40.4 ttm-85 -61.28 -46.05 91.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.587 -176.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.498 ' HA ' HD13 ' A' ' 65' ' ' LEU . 34.0 tt0 -62.89 -48.12 80.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.041 -177.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.81 -39.32 84.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.355 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.7 tp -62.74 -45.47 92.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.927 0.394 . . . . 0.0 110.489 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.33 -49.86 75.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.776 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.09 -37.28 86.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.368 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -66.8 -27.47 67.6 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.446 0.165 . . . . 0.0 111.317 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.619 HH22 ' HB2' ' A' ' 58' ' ' ASP . 4.7 ttp-105 -63.01 -50.66 69.86 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 174.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.615 ' HD2' ' OD1' ' A' ' 58' ' ' ASP . 31.6 ttt180 -60.78 -42.08 96.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.414 177.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -57.35 -45.02 84.79 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.632 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -69.75 -38.77 76.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 85' ' ' ARG . 77.4 mt-10 -59.96 -39.58 86.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.934 0.397 . . . . 0.0 110.368 177.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 95.2 mt -63.18 -37.24 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.703 177.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -73.65 -36.53 65.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.372 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.72 -37.63 88.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.505 0.669 . . . . 0.0 109.576 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 1.026 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 37.6 t80 -67.17 -40.35 86.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.47 177.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -66.11 -33.84 76.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.839 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.14 17.19 3.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.337 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.58 86.67 1.14 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.596 -0.812 . . . . 0.0 111.517 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 1.026 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 28.7 t80 -80.12 148.93 30.77 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -175.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.9 tp -72.34 94.89 1.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.951 0.405 . . . . 0.0 110.539 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.704 ' HB2' HD12 ' A' ' 129' ' ' ILE . 15.1 m -128.18 150.36 73.73 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.409 -178.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.512 ' HG2' ' SD ' ' A' ' 27' ' ' MET . 5.7 Cg_exo -75.25 153.1 40.39 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.356 2.037 . . . . 0.0 111.616 171.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -70.75 -27.5 63.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.724 ' HA ' ' SD ' ' A' ' 108' ' ' MET . 44.9 mt 62.44 14.7 7.15 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.645 177.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.9 m -110.88 -43.32 3.81 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.466 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.95 113.05 5.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.951 0.405 . . . . 0.0 109.957 176.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.06 -37.95 78.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.035 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -68.48 -35.48 77.59 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.483 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.624 ' ND2' ' HB2' ' A' ' 125' ' ' ARG . 45.8 t30 -64.81 -44.52 89.63 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.724 ' SD ' ' HA ' ' A' ' 102' ' ' LEU . 92.6 mmm -63.3 -37.18 86.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.973 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.07 -39.46 86.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.371 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -72.18 -30.38 64.92 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.5 tt -68.46 -35.79 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.405 172.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 112' ' ' ARG . 33.2 ttt180 -70.36 -23.62 62.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.287 177.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -86.86 2.01 50.51 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.295 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.456 ' CZ2' ' HA2' ' A' ' 116' ' ' GLY . 46.4 t90 -65.89 115.07 5.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.933 0.397 . . . . 0.0 110.816 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -104.71 21.18 17.34 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 110.729 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.456 ' HA2' ' CZ2' ' A' ' 114' ' ' TRP . . . 90.62 37.76 6.4 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -173.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.912 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 0.2 OUTLIER -94.14 124.25 38.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.266 -0.467 . . . . 0.0 110.597 -175.31 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -78.21 -40.67 36.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.965 0.412 . . . . 0.0 110.295 -178.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -68.51 -12.71 64.36 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.392 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.912 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 0.5 OUTLIER -72.72 -14.48 61.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.39 0.615 . . . . 0.0 109.883 179.112 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.413 HD11 ' CD2' ' A' ' 21' ' ' LEU . 69.0 mt -73.55 -19.03 61.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.159 0.504 . . . . 0.0 110.089 176.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -97.95 13.66 30.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.195 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 50.0 p -129.37 -34.1 1.86 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.172 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.74 152.34 35.98 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.317 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.624 ' HB2' ' ND2' ' A' ' 107' ' ' ASN . 38.0 mtp85 -77.1 72.24 3.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.27 0.557 . . . . 0.0 109.884 173.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.7 102.92 15.09 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.776 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.503 HD12 ' HG3' ' A' ' 135' ' ' GLN . 16.9 pt -106.67 176.16 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.259 -175.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -96.79 120.8 37.8 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 175.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.704 HD12 ' HB2' ' A' ' 99' ' ' CYS . 25.3 mt -118.52 132.24 68.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.292 -175.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -101.7 120.39 40.27 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.581 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.6 t70 56.76 -93.94 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 171.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.545 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 10.9 pttm -100.79 44.27 1.02 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -167.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.456 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 79.6 31.01 42.21 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.346 176.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -90.72 111.5 22.89 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.503 ' HG3' HD12 ' A' ' 127' ' ' ILE . 54.2 tt0 -70.54 119.0 14.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.171 0.51 . . . . 0.0 110.843 -177.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.9 t -84.84 97.35 5.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.605 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 18.7 m -91.04 131.87 37.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.359 -176.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 63.66 55.51 24.64 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.226 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -85.94 -77.82 1.2 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.82 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -166.73 -69.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.243 0.544 . . . . 0.0 109.732 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 C--O 1.25 1.091 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.206 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.5 mtm . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 121.0 0.429 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.606 ' HG2' ' H ' ' A' ' 4' ' ' ASP . 58.2 ttp180 -111.39 143.56 42.0 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.569 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.469 ' HB2' ' HE2' ' A' ' 91' ' ' LYS . 47.4 mt-10 -62.86 -36.86 84.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.533 0.683 . . . . 0.0 109.584 178.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.606 ' H ' ' HG2' ' A' ' 2' ' ' ARG . 3.9 m-20 -71.8 112.25 7.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.769 -177.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -82.92 -172.26 4.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.585 176.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.8 mt -73.22 -49.96 34.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.191 -176.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -122.54 118.13 27.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.74 -66.17 1.06 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.993 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.511 ' HG2' ' OD2' ' A' ' 15' ' ' ASP . 66.1 mttm -76.75 -3.81 40.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.015 0.436 . . . . 0.0 111.39 -174.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -111.79 17.9 19.41 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.171 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -143.38 -40.0 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.565 -176.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.36 -176.8 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -128.45 -1.18 5.6 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -176.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -100.76 -7.49 23.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.121 0.486 . . . . 0.0 110.538 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.511 ' OD2' ' HG2' ' A' ' 9' ' ' LYS . 5.4 m-20 -85.5 89.99 7.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.218 178.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -114.79 178.09 4.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.32 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -87.19 -3.97 59.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.457 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.09 -44.33 81.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.188 176.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -67.12 -8.52 31.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.331 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.74 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 37.5 tp10 -102.19 -66.59 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.903 -178.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.5 mt -70.54 -31.93 69.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.282 -170.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 -32.48 72.24 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.74 ' NH1' ' HA ' ' A' ' 20' ' ' GLU . 15.6 mtm-85 -66.41 -43.67 85.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.174 0.511 . . . . 0.0 109.87 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.41 -45.1 94.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.713 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -68.16 -30.93 70.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.792 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 30' ' ' VAL . 63.1 t80 -60.49 -54.92 39.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 173.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.583 ' O ' HG23 ' A' ' 31' ' ' VAL . 63.0 mtt -55.77 -45.19 78.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.201 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -50.24 -57.35 8.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.049 176.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.563 ' HA ' ' HB2' ' A' ' 32' ' ' ASN . 81.0 m-20 -73.72 -16.09 61.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.058 -173.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 26' ' ' PHE . 53.6 t -72.73 -37.66 56.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 172.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 27' ' ' MET . 20.6 t -75.82 -26.84 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.84 176.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.563 ' HB2' ' HA ' ' A' ' 29' ' ' ASP . 86.0 m-20 -77.73 -38.67 46.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.155 177.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 35.6 t -78.07 159.8 28.48 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.803 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.09 1.1 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.126 0.489 . . . . 0.0 110.451 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 m -56.94 -55.24 37.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.491 174.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.417 ' HD1' ' HG3' ' A' ' 39' ' ' GLN . 52.6 m-85 -137.57 22.53 2.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.334 178.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 33' ' ' SER . 35.2 ttpt -57.76 -31.38 66.44 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.025 0.441 . . . . 0.0 111.352 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.1 -4.9 89.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.516 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 83.6 mm-40 -107.03 121.0 46.17 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 39' ' ' GLN . 23.2 Cg_exo -65.78 -61.47 0.09 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.641 2.227 . . . . 0.0 112.601 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 105' ' ' ALA . 7.5 mm -125.76 163.69 26.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -176.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.889 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 92.2 m-85 -110.22 -160.38 0.71 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.993 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.595 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 1.9 p30 -142.29 -177.68 5.37 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.257 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.537 ' O ' ' HB ' ' A' ' 47' ' ' THR . 4.3 m-70 -81.11 -21.71 39.67 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.601 0.239 . . . . 0.0 111.448 -177.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.01 -37.96 72.65 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 175.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -67.24 -26.09 66.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.679 173.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.537 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 93.9 m -57.88 -63.56 1.21 Allowed 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 172.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.611 ' HD3' ' HB3' ' A' ' 132' ' ' LYS . 12.8 ptt180 -61.21 -32.25 72.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.122 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.22 -50.15 72.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.686 0.279 . . . . 0.0 110.744 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -73.54 -40.37 64.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.546 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 47' ' ' THR . 46.4 mm -65.69 -43.59 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.785 0.326 . . . . 0.0 110.997 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -62.96 -47.64 82.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.7 p -67.75 -32.85 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.178 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -61.86 -39.82 93.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.806 0.336 . . . . 0.0 110.804 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.2 mt -81.32 -39.22 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.805 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -67.43 -18.25 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.244 0.545 . . . . 0.0 110.211 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.585 ' HB3' HH11 ' A' ' 57' ' ' ARG . 2.6 ttp-105 -54.42 -36.21 63.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.092 176.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -64.7 -22.2 66.92 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.674 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.28 -21.35 63.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.989 0.423 . . . . 0.0 110.184 177.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.9 m -78.27 -28.13 47.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.226 178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -84.8 -34.02 22.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.26 0.552 . . . . 0.0 109.683 174.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.551 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 64.9 tp -64.36 -27.26 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.476 171.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.773 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 32.6 t70 -62.71 -32.41 73.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.376 178.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.897 ' HB3' ' HE2' ' A' ' 68' ' ' LYS . 43.6 mt-10 -61.83 -48.61 79.81 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 174.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 79' ' ' GLN . 97.4 mt -62.92 -22.71 66.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.009 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.773 ' HD2' ' HA ' ' A' ' 63' ' ' ASP . 85.6 mttt -74.7 -48.63 24.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.684 177.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -91.39 -14.35 30.79 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -170.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.897 ' HE2' ' HB3' ' A' ' 64' ' ' GLU . 66.9 mttm -82.28 9.31 9.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.917 0.389 . . . . 0.0 110.907 177.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -77.0 11.36 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.652 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -69.05 -19.73 64.1 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 173.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 m -73.7 149.26 42.01 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 170.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -88.8 18.69 4.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.431 0.634 . . . . 0.0 110.079 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 73' ' ' ARG . 26.6 mtt-85 -135.04 80.33 48.34 Favored Pre-proline 0 N--CA 1.449 -0.481 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.417 176.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.513 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 42.8 Cg_exo -57.53 136.45 75.93 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.868 2.379 . . . . 0.0 112.83 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.513 ' HD3' ' HA ' ' A' ' 74' ' ' PRO . 4.6 Cg_exo -74.37 84.8 1.5 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.87 2.38 . . . . 0.0 112.409 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 80' ' ' VAL . 8.0 p -60.76 -57.8 11.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.565 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -63.48 -43.76 96.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.775 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.7 mtt-85 -64.17 -41.22 97.22 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -176.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.401 ' HA ' HD13 ' A' ' 65' ' ' LEU . 48.0 tt0 -67.0 -39.91 87.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.983 0.421 . . . . 0.0 110.465 178.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.493 ' O ' ' HG2' ' A' ' 84' ' ' GLN . 69.4 t -64.58 -40.35 88.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.505 177.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.3 tp -59.78 -41.63 91.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.775 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.97 -47.39 86.66 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -57.36 -49.82 74.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.361 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 80' ' ' VAL . 86.5 mm-40 -55.03 -46.2 75.27 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.867 -176.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -67.17 -42.7 83.84 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.238 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.481 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 52.5 ttp180 -63.11 -46.81 85.57 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -178.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.57 -36.3 80.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.571 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.03 -44.23 93.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.086 0.469 . . . . 0.0 110.437 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -74.27 -25.93 59.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.1 -177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 92.4 mt -66.15 -31.34 72.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.337 0.589 . . . . 0.0 109.735 172.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.501 ' HD3' ' C ' ' A' ' 91' ' ' LYS . 5.1 tmtm? -71.12 -40.78 71.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.772 175.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -61.0 -35.63 77.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.421 0.629 . . . . 0.0 109.607 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -60.42 -39.52 87.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.549 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 90' ' ' LEU . 84.0 mttt -71.43 -30.66 66.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.506 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.1 12.13 5.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.814 -172.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.95 81.25 1.02 Allowed Glycine 0 N--CA 1.442 -0.958 0 C-N-CA 120.34 -0.933 . . . . 0.0 110.784 -174.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.559 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 28.5 t80 -55.51 129.46 38.95 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 122.753 0.421 . . . . 0.0 110.408 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.8 tp -67.1 103.31 1.16 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.161 0.505 . . . . 0.0 110.481 -176.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.688 ' HB2' HD12 ' A' ' 129' ' ' ILE . 33.9 m -128.51 154.28 79.41 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.794 -179.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.56 149.15 55.07 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.096 1.864 . . . . 0.0 109.622 166.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -55.95 -36.59 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.004 0.431 . . . . 0.0 110.298 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.889 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 15.4 tp 75.7 -32.4 0.21 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.318 171.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.595 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 5.7 p -87.48 -18.17 30.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.928 0.394 . . . . 0.0 110.495 175.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.91 122.62 24.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.388 174.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.561 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -64.87 -36.8 85.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.335 -175.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.515 ' HB3' ' NH2' ' A' ' 125' ' ' ARG . 51.1 tptt -65.19 -40.35 94.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.916 0.388 . . . . 0.0 110.288 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.607 HD21 ' HB2' ' A' ' 125' ' ' ARG . 18.5 m-80 -58.45 -46.06 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.496 173.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.45 ' SD ' HD22 ' A' ' 111' ' ' LEU . 36.4 tpp -66.1 -28.27 68.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.091 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -62.88 -52.93 61.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.705 0.288 . . . . 0.0 110.314 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.452 ' CZ ' ' HE3' ' A' ' 106' ' ' LYS . 48.2 m-85 -68.01 -34.18 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.542 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.45 HD22 ' SD ' ' A' ' 108' ' ' MET . 7.7 tt -64.3 -37.33 87.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.06 -178.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 112' ' ' ARG . 26.6 ttt180 -80.77 -25.22 38.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.134 0.492 . . . . 0.0 110.757 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -95.53 18.94 11.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.307 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.57 ' HA ' HD13 ' A' ' 120' ' ' LEU . 25.9 t90 -78.36 137.29 37.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.768 -175.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -145.0 -157.12 0.76 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.16 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -73.28 62.07 1.81 Allowed Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 172.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.403 ' HB ' HD12 ' A' ' 120' ' ' LEU . 11.7 m -132.46 103.94 6.44 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -174.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -73.81 -19.92 60.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.922 0.391 . . . . 0.0 110.839 -176.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.66 -17.33 68.91 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.971 176.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.57 HD13 ' HA ' ' A' ' 114' ' ' TRP . 47.1 mt -73.83 -13.39 60.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 0.0 111.3 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 121' ' ' LEU . 3.6 mm? -78.81 -13.61 59.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.376 0.608 . . . . 0.0 109.473 175.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -91.66 -29.47 16.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.8 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 49.6 p -81.07 -37.82 28.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.988 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.94 135.79 55.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.047 176.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.607 ' HB2' HD21 ' A' ' 107' ' ' ASN . 1.0 OUTLIER -92.25 77.24 5.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.623 0.725 . . . . 0.0 109.603 178.042 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 14.3 mt -82.22 123.57 29.14 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.834 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.524 HD12 ' HG3' ' A' ' 135' ' ' GLN . 16.6 pt -123.42 -175.55 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.599 -175.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.58 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 98.0 mtt180 -96.44 123.87 40.24 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.688 HD12 ' HB2' ' A' ' 99' ' ' CYS . 21.9 mt -120.77 113.85 41.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 121.444 0.64 . . . . 0.0 110.006 176.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -99.35 145.96 26.79 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.39 -171.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.6 t70 58.31 -87.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.4 -1.273 . . . . 0.0 112.203 174.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.611 ' HB3' ' HD3' ' A' ' 48' ' ' ARG . 90.5 mttt -138.73 79.87 1.76 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.196 0.522 . . . . 0.0 111.714 -176.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 74.9 13.9 82.09 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.549 -0.75 . . . . 0.0 113.294 173.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 129' ' ' ILE . 38.5 mt-10 -90.26 134.87 34.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -177.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.524 ' HG3' HD12 ' A' ' 127' ' ' ILE . 49.8 tt0 -87.37 129.44 35.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.351 0.595 . . . . 0.0 110.939 -174.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.58 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 11.0 t -103.72 135.99 38.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.399 177.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 53.1 t -56.09 -39.34 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.306 0.575 . . . . 0.0 110.779 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.56 ' HA2' ' HD2' ' A' ' 128' ' ' ARG . . . 130.04 -135.08 8.15 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.97 177.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -159.03 35.08 0.49 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.049 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.442 ' C ' HD22 ' A' ' 140' ' ' ASN . 0.4 OUTLIER -106.92 3.33 26.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 179.616 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.989 179.512 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.647 0.26 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -99.53 134.53 42.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.0 0.428 . . . . 0.0 111.589 -174.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -83.11 -30.5 27.88 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 174.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.95 110.17 21.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.948 -1.023 . . . . 0.0 108.505 170.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -68.65 -24.32 64.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.801 -172.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.496 HG22 ' H ' ' A' ' 8' ' ' ALA . 40.9 mm -80.69 148.88 5.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.85 -41.97 78.87 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.27 0.557 . . . . 0.0 110.1 176.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.496 ' H ' HG22 ' A' ' 6' ' ' ILE . . . -101.37 -167.02 1.36 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.077 171.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -119.48 167.28 12.11 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.03 -16.87 48.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.895 0.378 . . . . 0.0 111.789 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -80.33 -10.17 59.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.629 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.9 mt -120.17 141.59 49.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.525 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -133.84 140.65 47.01 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.934 -177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 65.7 95.6 0.06 Allowed 'General case' 0 N--CA 1.464 0.254 0 O-C-N 124.086 0.866 . . . . 0.0 111.83 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -63.11 127.1 29.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.985 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.509 ' HE2' HD23 ' A' ' 98' ' ' LEU . 29.0 mtpp -89.07 170.3 10.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.579 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.7 mtt-85 -76.99 147.08 37.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.968 0.413 . . . . 0.0 111.212 -174.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.0 t -63.49 -27.65 43.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.266 172.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.564 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 42.2 m80 -66.0 -11.79 50.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.438 177.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.01 -47.96 40.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.425 HD21 HD11 ' A' ' 121' ' ' LEU . 7.5 mp -72.3 -36.97 69.08 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.464 177.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.564 ' HB3' ' HA ' ' A' ' 19' ' ' HIS . . . -56.77 -29.67 62.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.403 174.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.486 ' HD3' ' CD1' ' A' ' 51' ' ' ILE . 33.7 ttm180 -70.8 -40.27 72.64 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.4 t -60.43 -43.19 93.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.701 174.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 55.0 tttm -57.9 -47.34 83.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.526 175.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.446 ' O ' HG23 ' A' ' 30' ' ' VAL . 77.8 t80 -57.56 -49.06 77.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.518 ' O ' HG23 ' A' ' 31' ' ' VAL . 53.7 mtt -57.89 -42.54 84.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.553 177.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -59.66 -52.62 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.328 176.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -57.66 -46.95 83.57 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.895 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.479 HG12 ' HB2' ' A' ' 36' ' ' PHE . 73.0 t -59.17 -46.24 92.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 27' ' ' MET . 50.2 t -69.42 -32.23 52.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.056 0.455 . . . . 0.0 110.947 -177.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -88.09 -7.99 56.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.121 0.486 . . . . 0.0 110.912 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 18.7 t -97.47 153.11 18.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.377 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.77 -10.09 11.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.433 HG22 ' CD2' ' A' ' 36' ' ' PHE . 28.0 m -53.26 -46.02 69.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.644 175.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.479 ' HB2' HG12 ' A' ' 30' ' ' VAL . 19.2 m-85 -143.05 14.4 1.88 Allowed 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 33' ' ' SER . 37.8 ttpt -68.03 -13.29 62.07 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.155 0.502 . . . . 0.0 110.664 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.91 -18.33 72.44 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.764 -0.731 . . . . 0.0 111.887 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -100.18 136.0 20.19 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.91 -67.95 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.595 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 105' ' ' ALA . 40.3 mm -136.41 152.73 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.674 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 24.2 m-85 -89.68 -167.14 1.77 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.678 0.275 . . . . 0.0 110.799 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.863 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 6.4 m-20 -143.17 -178.23 5.74 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -177.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.41 ' O ' ' HB ' ' A' ' 47' ' ' THR . 17.1 m170 -69.24 -23.27 63.84 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.02 75.39 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.346 172.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 54.7 m-70 -69.43 -23.46 63.69 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.154 175.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.415 ' O ' HG12 ' A' ' 51' ' ' ILE . 90.7 m -65.68 -53.34 42.38 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 169.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 1.053 ' HG3' ' HB3' ' A' ' 132' ' ' LYS . 59.0 ttt180 -50.41 -47.87 56.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.464 174.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.497 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 32.2 mt-10 -57.46 -58.5 8.0 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.992 177.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -67.5 -41.03 85.13 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -174.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.486 ' CD1' ' HD3' ' A' ' 23' ' ' ARG . 41.5 mm -64.46 -36.06 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.804 0.335 . . . . 0.0 110.453 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -61.96 -46.39 89.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.159 174.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.2 m -64.9 -29.6 70.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.021 0.439 . . . . 0.0 111.017 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -66.78 -42.89 85.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.96 0.41 . . . . 0.0 110.27 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.5 mt -74.6 -32.91 30.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.308 0.575 . . . . 0.0 110.223 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.75 -31.27 71.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.366 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -59.17 -38.38 79.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.48 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -77.52 -33.99 54.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.954 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.6 -34.11 72.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.023 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 90.8 m -63.93 -38.58 91.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.071 176.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -69.68 -40.0 76.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.539 0.685 . . . . 0.0 109.22 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.548 ' HA ' HD23 ' A' ' 82' ' ' LEU . 58.9 tp -61.85 -42.05 98.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.688 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -67.39 -31.82 72.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.928 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -67.54 -44.49 78.18 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.419 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.2 mt -65.3 -40.13 93.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.218 0.532 . . . . 0.0 109.565 175.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -56.02 -44.54 78.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.423 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -70.76 -43.11 69.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.033 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.451 ' HG2' ' HD2' ' A' ' 74' ' ' PRO . 3.2 ttmp? -64.66 -29.94 70.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.792 -177.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 20.7 ttt180 -57.86 -35.65 71.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.852 177.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -71.56 -15.39 62.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.38 -176.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.6 t -86.11 -68.25 0.75 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.101 -177.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -136.06 10.72 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.528 -176.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.624 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 80.9 mtm180 51.83 45.32 2.63 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -174.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.624 ' HD3' ' N ' ' A' ' 73' ' ' ARG . 24.6 Cg_exo -63.58 -55.27 0.73 Allowed 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 121.922 1.748 . . . . 0.0 113.83 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.473 ' HD3' ' HB2' ' A' ' 74' ' ' PRO . 9.5 Cg_exo -71.89 -52.93 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 121.695 1.597 . . . . 0.0 112.122 -178.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.1 m 55.34 -87.88 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.793 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -69.27 -29.24 67.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.262 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.95 -31.49 72.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.193 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -66.39 -47.68 72.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.314 0.578 . . . . 0.0 109.743 177.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.1 t -67.21 -35.76 74.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.287 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.44 -41.61 84.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.362 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 62' ' ' LEU . 36.3 tp -66.8 -36.55 82.64 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 175.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -60.78 -43.58 97.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.162 174.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -65.59 -33.77 76.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 176.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -40.82 75.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.335 0.588 . . . . 0.0 109.433 177.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.453 ' HD2' HD22 ' A' ' 62' ' ' LEU . 27.8 ttt-85 -57.26 -53.99 51.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.702 173.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.511 ' HA ' HD12 ' A' ' 90' ' ' LEU . 1.3 m-20 -63.71 -33.01 74.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.314 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.07 -49.41 76.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.719 0.295 . . . . 0.0 110.651 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -67.02 -30.11 70.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.233 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 87' ' ' ASP . 95.5 mt -65.5 -39.32 91.73 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.499 175.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -67.92 -38.35 82.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.308 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -69.48 -33.52 73.0 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.587 ' HD1' ' HB2' ' A' ' 97' ' ' PHE . 1.6 t80 -66.11 -36.37 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.734 175.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -75.65 -13.18 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.948 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.25 -16.37 16.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.591 177.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.03 90.41 0.9 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.988 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.587 ' HB2' ' HD1' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -76.47 138.75 40.49 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -179.436 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.509 HD23 ' HE2' ' A' ' 16' ' ' LYS . 32.4 tp -80.21 97.11 6.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.125 0.488 . . . . 0.0 110.742 -177.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.725 ' HB2' HD12 ' A' ' 129' ' ' ILE . 73.4 m -128.06 152.38 77.47 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.926 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -80.17 151.27 20.65 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 121.877 1.718 . . . . 0.0 111.729 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.17 102.1 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 174.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.674 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 13.8 tp -79.23 5.87 11.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.182 -172.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.863 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 7.3 p -113.27 6.04 17.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.494 -177.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -95.55 124.43 39.57 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.095 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.451 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -67.17 -45.69 76.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.776 -175.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -69.0 -43.13 75.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.788 0.328 . . . . 0.0 110.672 -176.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.56 HD22 ' HA ' ' A' ' 124' ' ' LEU . 10.8 m120 -73.36 -23.15 60.17 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.725 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.535 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 29.2 ttm -75.85 -27.07 57.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 171.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -70.03 -42.55 72.79 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 173.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -60.76 -39.14 87.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.912 171.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.457 HD21 ' HB3' ' A' ' 27' ' ' MET . 4.0 tp -60.0 -45.8 91.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.049 176.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 108' ' ' MET . 74.5 mtt180 -60.27 -33.6 72.54 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.304 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.526 HD22 ' N ' ' A' ' 113' ' ' ASN . 0.8 OUTLIER -99.66 18.31 18.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.938 -175.298 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.699 ' HA ' HD13 ' A' ' 120' ' ' LEU . 24.1 t90 -68.93 108.8 3.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.356 0.598 . . . . 0.0 110.09 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -86.12 18.06 3.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.341 -174.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.23 47.19 24.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.449 -0.881 . . . . 0.0 111.09 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.604 HG23 ' HB2' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -120.65 142.84 49.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.923 0.392 . . . . 0.0 110.959 -175.35 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -80.64 -23.49 39.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.963 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -72.89 -26.92 69.96 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.149 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.699 HD13 ' HA ' ' A' ' 114' ' ' TRP . 2.9 tt -73.94 -20.16 60.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.232 0.539 . . . . 0.0 109.777 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.425 HD11 HD21 ' A' ' 21' ' ' LEU . 97.4 mt -63.95 -29.98 71.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.051 0.453 . . . . 0.0 110.328 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -73.75 -21.78 60.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 70.0 p -94.98 2.47 55.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.128 0.49 . . . . 0.0 110.511 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.56 ' HA ' HD22 ' A' ' 107' ' ' ASN . 81.6 mt -103.61 143.17 33.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.359 177.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -80.48 73.15 7.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.19 0.519 . . . . 0.0 109.753 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.3 mt -83.89 105.15 14.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.358 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.519 HD12 ' HG3' ' A' ' 135' ' ' GLN . 11.1 pt -109.04 175.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.819 -173.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.453 ' NH1' ' HB3' ' A' ' 140' ' ' ASN . 33.4 mtp180 -96.85 117.54 31.32 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.725 HD12 ' HB2' ' A' ' 99' ' ' CYS . 55.9 mt -115.49 126.64 73.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.226 0.536 . . . . 0.0 110.807 -177.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.438 ' HA ' ' O ' ' A' ' 93' ' ' PHE . 40.8 t30 -108.74 166.32 10.89 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.212 -176.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 132' ' ' LYS . 19.1 t70 60.32 -95.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.897 0.748 . . . . 0.0 111.025 173.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 1.053 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . 95.1 mttt -156.36 86.47 1.01 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.75 21.01 54.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.631 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -100.56 106.42 17.94 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.197 -0.298 . . . . 0.0 110.197 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.519 ' HG3' HD12 ' A' ' 127' ' ' ILE . 53.9 tt0 -68.67 124.15 22.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.013 0.435 . . . . 0.0 110.929 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.0 t -92.51 93.66 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.87 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.4 m -80.88 142.27 14.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.229 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 111.54 -29.72 8.41 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.097 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 112.26 -38.14 3.37 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.636 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.453 ' HB3' ' NH1' ' A' ' 128' ' ' ARG . 3.1 t-20 68.76 78.02 0.22 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.185 0.594 . . . . 0.0 111.397 177.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 C--O 1.248 0.991 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.776 176.431 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mmm . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -111.66 -167.57 1.2 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -68.09 -53.31 26.41 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 172.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 51.13 53.22 13.37 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.067 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -85.11 99.35 11.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.475 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.3 pt -71.21 170.2 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.938 -173.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.88 152.29 28.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.904 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.92 137.92 57.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.425 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -89.01 145.11 25.69 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.181 -176.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -63.81 -38.69 92.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 0.0 111.098 177.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -74.75 113.98 12.66 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.01 150.72 47.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.905 -176.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -78.54 83.88 4.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.084 -176.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -85.17 100.11 11.52 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 167.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -55.74 142.78 33.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.162 -167.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -53.7 -34.61 59.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.351 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 66.9 ttt180 -79.04 2.57 20.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.609 -174.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.8 p -63.44 -21.84 29.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 172.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -58.85 -30.29 67.6 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.187 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.438 ' HB3' HD12 ' A' ' 21' ' ' LEU . 29.8 tt0 -71.09 -49.7 41.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.414 -177.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 21' ' ' LEU . 4.4 mp -81.01 -11.33 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.532 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.25 -38.57 77.14 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.516 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -60.85 -44.98 96.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 110.239 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.9 t -68.72 -42.64 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.015 -178.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.6 -38.26 90.41 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.88 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -56.51 -48.41 77.26 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 175.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.438 ' O ' HG22 ' A' ' 31' ' ' VAL . 64.9 mtt -59.62 -43.74 93.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.593 177.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -59.03 -54.11 50.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.026 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.75 -39.71 89.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.486 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.474 HG12 ' HB2' ' A' ' 36' ' ' PHE . 53.8 t -68.53 -42.54 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 27' ' ' MET . 34.4 m -77.24 -21.19 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -89.9 -21.46 22.49 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.256 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.544 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 71.7 p -95.66 168.48 10.65 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.11 1.4 11.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.168 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.415 HG22 ' CD2' ' A' ' 36' ' ' PHE . 50.4 m -60.41 -47.51 85.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.832 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.474 ' HB2' HG12 ' A' ' 30' ' ' VAL . 30.0 m-85 -142.12 22.64 2.06 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.171 -0.211 . . . . 0.0 111.519 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 33' ' ' SER . 37.7 ttpt -61.27 -22.78 65.16 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.059 0.457 . . . . 0.0 110.765 177.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.83 -35.93 77.42 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.016 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -116.59 93.93 41.93 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -68.36 -21.25 41.31 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.799 2.332 . . . . 0.0 112.132 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 105' ' ' ALA . 20.3 mm -119.17 153.59 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.561 ' HB3' ' HB2' ' A' ' 46' ' ' HIS . 76.1 m-85 -130.2 -165.51 1.55 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.884 0.374 . . . . 0.0 110.943 -178.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -129.39 168.48 16.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -60.29 -26.09 66.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.687 0.28 . . . . 0.0 110.999 176.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.16 73.35 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.617 0.246 . . . . 0.0 110.647 173.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.593 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 78.5 m-70 -76.23 -19.36 58.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.991 178.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.2 m -66.86 -55.0 16.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 169.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -48.94 -52.61 23.72 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.162 172.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.593 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 28.3 mt-10 -50.6 -61.51 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.213 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -72.95 -41.54 64.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 -173.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.76 -47.67 85.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.773 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -65.74 -35.52 80.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.646 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.2 p -73.06 -33.7 65.82 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.857 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -66.11 -34.59 78.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.032 0.444 . . . . 0.0 109.814 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 78.0 mt -72.9 -48.68 43.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.771 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -64.97 -17.44 64.4 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.188 -176.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.3 ttt-85 -56.24 -30.89 62.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.292 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -63.54 -27.91 69.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.552 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.7 -21.46 64.5 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.279 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.4 m -67.94 -34.42 76.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.133 0.492 . . . . 0.0 110.588 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -87.52 -18.34 30.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.285 0.564 . . . . 0.0 109.797 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.418 ' HB2' HD11 ' A' ' 82' ' ' LEU . 56.6 tp -74.79 -31.51 61.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.916 173.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.66 -31.33 72.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.694 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -59.39 -40.02 85.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.149 0.5 . . . . 0.0 110.005 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.5 mt -70.31 -32.14 69.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.399 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -68.54 -43.22 77.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.302 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -60.45 -39.28 86.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.365 174.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -63.05 -43.82 97.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.456 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.3 ttt85 -66.07 -29.16 69.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.824 177.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -70.22 -32.65 70.62 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.3 m -77.83 6.71 7.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.022 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.2 t30 77.35 21.64 1.03 Allowed 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.689 0.795 . . . . 0.0 110.321 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -115.83 87.69 18.98 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.736 174.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 15.1 Cg_exo -69.14 120.07 6.99 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.89 2.393 . . . . 0.0 111.804 176.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 74' ' ' PRO . 3.0 Cg_endo -86.48 121.86 1.97 Allowed 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.219 2.612 . . . . 0.0 111.908 177.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 80' ' ' VAL . 23.8 p -87.63 -75.48 0.41 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.766 0.317 . . . . 0.0 110.733 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -66.85 -32.98 74.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.335 -175.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.6 mmm-85 -65.16 -38.25 89.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.072 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -79.02 -39.86 32.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.725 -176.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.483 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 95.8 t -64.41 -51.13 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.541 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.21 -36.98 78.91 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.418 HD11 ' HB2' ' A' ' 62' ' ' LEU . 1.2 tm? -57.52 -57.27 13.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.519 176.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -60.2 -35.86 76.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.411 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 99.1 mt-30 -61.85 -51.02 69.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.692 -178.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 3.5 ttp180 -70.27 -36.33 74.36 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -177.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 86' ' ' ARG . 37.3 ttt-85 -56.89 -50.61 71.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.457 0.646 . . . . 0.0 109.965 175.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.513 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 25.1 t0 -63.59 -32.77 74.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.513 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -65.46 -39.97 92.63 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.821 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 69.9 mm-40 -55.47 -47.4 76.17 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.138 0.494 . . . . 0.0 110.001 177.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 90' ' ' LEU . 4.0 mm? -61.45 -45.86 92.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.364 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 60.0 mttm -60.76 -40.66 93.32 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.784 -179.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.482 ' HG2' ' HB2' ' A' ' 97' ' ' PHE . 42.2 tt0 -60.33 -49.28 78.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.146 -177.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -83.5 -5.15 59.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.062 0.458 . . . . 0.0 110.619 -177.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -86.85 -36.53 18.42 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.29 -31.39 54.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.538 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.2 88.53 1.08 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.834 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.482 ' HB2' ' HG2' ' A' ' 92' ' ' GLU . 53.2 t80 -80.34 151.82 29.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.83 0.347 . . . . 0.0 110.641 -177.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.576 ' HG ' ' HB3' ' A' ' 126' ' ' LEU . 13.4 tp -70.54 100.67 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.16 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.559 ' HB2' HD12 ' A' ' 129' ' ' ILE . 36.7 m -126.55 148.11 63.13 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.186 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.75 154.42 30.44 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.326 2.017 . . . . 0.0 112.217 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -80.28 125.72 30.23 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.551 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 41.5 mt -89.68 0.55 56.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -172.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 64.3 p -102.57 -2.89 27.6 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.834 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -94.57 109.06 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.45 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -66.68 -23.78 66.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.116 -174.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -67.4 -51.39 52.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.294 0.569 . . . . 0.0 109.628 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.58 ' HA ' ' HD2' ' A' ' 110' ' ' PHE . 27.2 m-80 -68.59 -34.23 75.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.25 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 92.3 mmm -64.28 -29.76 70.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.854 0.359 . . . . 0.0 110.302 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -71.06 -43.95 66.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.981 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.58 ' HD2' ' HA ' ' A' ' 107' ' ' ASN . 40.6 m-85 -60.82 -38.91 87.03 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.058 0.456 . . . . 0.0 109.986 175.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -39.52 94.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.001 177.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.2 mtp85 -65.78 -37.84 87.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.036 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -94.73 18.88 10.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.043 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.48 ' HA ' HD13 ' A' ' 120' ' ' LEU . 25.7 t90 -73.8 114.95 12.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.864 0.364 . . . . 0.0 110.463 -177.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -104.09 29.35 6.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.359 0.599 . . . . 0.0 110.474 -176.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 76.2 15.88 81.11 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.121 -175.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.548 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 2.6 m -73.29 122.32 21.79 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.919 -0.641 . . . . 0.0 110.949 -176.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -69.42 -36.55 76.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.882 0.372 . . . . 0.0 110.029 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.73 -29.98 71.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.855 175.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.548 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 10.9 mt -67.4 -21.29 65.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.762 0.315 . . . . 0.0 111.245 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.43 HD11 ' HG ' ' A' ' 21' ' ' LEU . 88.0 mt -75.22 -20.37 59.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.294 0.569 . . . . 0.0 110.025 177.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -91.75 -21.62 20.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.235 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.427 ' OG1' ' HA ' ' A' ' 120' ' ' LEU . 43.4 p -83.12 -23.35 33.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.081 0.467 . . . . 0.0 110.278 175.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 52.2 mt -78.91 136.11 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.849 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -74.78 68.77 1.75 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.451 0.643 . . . . 0.0 109.693 173.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.576 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . 49.1 mt -80.93 111.76 17.7 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.392 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 98' ' ' LEU . 31.3 pt -107.03 -178.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.685 -176.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.604 ' CB ' ' HB ' ' A' ' 136' ' ' VAL . 51.8 mtt180 -96.9 119.82 36.08 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.187 174.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' A' ' 99' ' ' CYS . 66.3 mt -119.91 134.24 64.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.13 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -126.24 152.6 45.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.871 0.367 . . . . 0.0 111.643 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.3 t70 66.16 -71.18 0.09 Allowed 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.844 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -122.93 -80.97 0.63 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.2 0.524 . . . . 0.0 109.728 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -145.13 38.76 1.23 Allowed Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' A' ' 129' ' ' ILE . 5.2 mm-40 -85.27 151.57 23.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.7 -170.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -91.45 112.33 24.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 -175.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.604 ' HB ' ' CB ' ' A' ' 128' ' ' ARG . 21.7 t -91.78 121.72 42.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 171.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.5 m -106.21 177.28 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.452 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -76.01 50.17 2.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.207 -0.52 . . . . 0.0 112.495 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -155.48 20.24 0.53 Allowed Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 121.273 -0.489 . . . . 0.0 111.928 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -113.03 -56.62 2.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.983 0.42 . . . . 0.0 109.904 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.557 175.359 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.2 mtp . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -138.33 174.35 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.076 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -85.51 -30.57 23.32 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 175.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -69.76 159.58 33.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.203 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -100.54 -23.05 14.79 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.43 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.6 tt -166.57 116.95 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 121.244 0.545 . . . . 0.0 111.418 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.26 130.18 35.03 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 174.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.51 77.19 9.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -173.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -100.59 -33.01 10.48 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 165.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -94.75 -167.17 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.691 171.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -135.28 170.2 16.3 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.49 -21.3 64.61 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.163 0.506 . . . . 0.0 110.605 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -101.52 121.71 42.48 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 170.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -59.96 -38.33 82.17 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.587 0.554 . . . . 0.0 111.425 -172.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -94.61 146.05 24.4 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -84.99 -171.99 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -168.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.408 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -63.01 -10.84 15.43 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.083 -173.393 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.54 -30.39 49.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.983 0.42 . . . . 0.0 110.802 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.07 -16.15 63.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.885 0.374 . . . . 0.0 110.374 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.518 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 16.5 mt-10 -108.63 -66.51 1.04 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.696 -175.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.93 -21.89 65.96 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -172.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.15 -17.69 64.88 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 13.1 mmt180 -63.37 -46.49 86.26 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.7 t -70.15 -35.66 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.174 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 76.9 tttt -61.74 -41.5 97.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.693 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.461 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 86.3 t80 -60.39 -48.15 83.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.915 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.505 ' O ' HG22 ' A' ' 31' ' ' VAL . 63.7 mtt -54.49 -48.71 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.487 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -60.67 -52.96 62.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.272 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -63.22 -42.58 99.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.478 -174.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.5 -39.29 85.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.917 HG23 ' HG3' ' A' ' 112' ' ' ARG . 27.3 m -87.4 -9.83 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 111.304 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 27.1 t-20 -92.94 -34.04 13.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.048 0.451 . . . . 0.0 110.293 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.9 p -85.01 166.5 16.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.75 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.53 1.58 3.91 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -178.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 m -52.86 -51.94 59.18 Favored 'General case' 0 N--CA 1.452 -0.375 0 O-C-N 123.571 0.544 . . . . 0.0 109.733 172.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -141.22 22.87 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.558 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 32' ' ' ASN . 28.4 ttpp -76.4 66.78 2.51 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 122.254 1.026 . . . . 0.0 109.047 173.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.02 -33.91 0.02 OUTLIER Glycine 0 C--N 1.311 -0.827 0 CA-C-N 113.347 -1.751 . . . . 0.0 109.779 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 14.9 mm100 -83.48 122.81 77.08 Favored Pre-proline 0 N--CA 1.452 -0.366 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 39' ' ' GLN . 26.8 Cg_exo -61.57 -71.94 0.03 OUTLIER 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.669 2.246 . . . . 0.0 112.936 -175.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.543 ' CD1' ' HA ' ' A' ' 105' ' ' ALA . 45.7 mm -127.76 157.32 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -176.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -110.03 -171.97 1.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.281 0.563 . . . . 0.0 111.816 -176.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -132.7 -167.77 1.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.777 -174.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.587 ' O ' ' HB ' ' A' ' 47' ' ' THR . 10.6 m170 -86.85 -24.12 25.05 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.446 -175.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' A' ' 48' ' ' ARG . . . -68.78 -43.82 74.91 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.226 0.536 . . . . 0.0 109.626 174.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 66.8 m80 -73.26 -14.78 61.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.196 175.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.587 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 51.5 m -68.02 -61.15 1.99 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.917 171.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 5.3 ptp180 -57.24 -35.43 69.71 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.386 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.481 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 18.4 mt-10 -55.53 -59.93 4.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.202 176.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.461 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 13.6 m-85 -72.69 -42.29 64.39 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -176.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 51' ' ' ILE . 10.5 mm -60.72 -51.22 75.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.582 -178.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -71.78 -30.26 65.35 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.4 -175.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -63.34 -34.52 77.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.03 0.443 . . . . 0.0 110.163 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -67.93 -35.16 77.95 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.8 mt -69.67 -36.17 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 121.466 0.65 . . . . 0.0 109.926 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.03 -26.74 68.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.909 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -46.74 -40.64 13.82 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.178 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' HB3' ' HB2' ' A' ' 86' ' ' ARG . 19.7 t70 -55.79 -42.68 75.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.029 0.442 . . . . 0.0 110.939 -177.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -66.73 -29.63 69.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.728 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.496 ' HA ' ' OD2' ' A' ' 63' ' ' ASP . 22.0 m -74.99 -33.13 61.81 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.159 0.504 . . . . 0.0 110.74 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -75.01 -30.15 61.04 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 172.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.533 HD11 ' HG3' ' A' ' 79' ' ' GLN . 38.7 tp -70.26 -25.85 63.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.45 176.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.496 ' OD2' ' HA ' ' A' ' 60' ' ' THR . 28.6 m-20 -59.05 -35.86 74.04 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.862 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.658 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 24.6 mm-40 -60.12 -38.0 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.558 175.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.514 HD12 HD12 ' A' ' 62' ' ' LEU . 84.7 mt -73.67 -36.27 65.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.622 0.249 . . . . 0.0 110.674 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 80.3 mttt -62.67 -35.97 81.37 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 122.031 0.919 . . . . 0.0 109.282 173.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -71.51 -31.95 67.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.193 -1.367 . . . . 0.0 111.024 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.658 ' HG3' ' O ' ' A' ' 64' ' ' GLU . 62.9 mttm -77.91 -15.22 59.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.013 0.435 . . . . 0.0 110.296 175.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.514 ' HD3' ' O ' ' A' ' 69' ' ' ARG . 4.2 tmt_? -73.02 -6.44 45.49 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.156 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -66.0 -4.81 7.82 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.204 0.526 . . . . 0.0 111.019 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.0 m -81.38 -163.51 0.63 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.43 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -74.37 -40.15 62.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.223 0.535 . . . . 0.0 109.769 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -134.74 146.47 59.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.301 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -72.44 169.2 22.29 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.193 2.595 . . . . 0.0 112.992 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.445 ' HG2' ' HB3' ' A' ' 65' ' ' LEU . 29.4 Cg_exo -63.89 -16.45 54.89 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.996 2.464 . . . . 0.0 112.395 176.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.9 t 52.47 -95.01 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.699 0.8 . . . . 0.0 112.407 175.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -61.93 -40.15 94.5 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.825 0.345 . . . . 0.0 110.765 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -63.75 -32.57 74.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.165 0.507 . . . . 0.0 110.233 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.533 ' HG3' HD11 ' A' ' 62' ' ' LEU . 49.8 tt0 -76.73 -45.26 29.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.456 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.525 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 74.4 t -63.95 -45.38 97.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.555 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.78 -40.71 89.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.61 HD12 ' HD2' ' A' ' 85' ' ' ARG . 55.0 tp -69.84 -44.76 69.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.375 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.457 ' HA ' HH12 ' A' ' 86' ' ' ARG . 48.2 tt0 -53.04 -35.54 59.61 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.193 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 95.6 mt-30 -65.49 -26.48 67.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.154 -177.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.61 ' HD2' HD12 ' A' ' 82' ' ' LEU . 75.5 mtt180 -60.26 -52.03 67.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.099 0.476 . . . . 0.0 109.939 178.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.72 HH11 ' HB3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -65.55 -41.0 93.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.724 177.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -62.9 -40.73 98.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.114 0.483 . . . . 0.0 110.359 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -64.79 -38.41 90.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.409 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.472 ' O ' ' HD1' ' A' ' 93' ' ' PHE . 45.4 mt-10 -65.37 -42.45 92.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.237 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.429 HD23 ' HG2' ' A' ' 86' ' ' ARG . 3.7 mm? -55.24 -41.65 72.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.789 0.328 . . . . 0.0 110.561 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -70.32 -46.98 63.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.51 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -58.73 -51.9 67.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.937 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.5 ' O ' ' HA ' ' A' ' 130' ' ' ASN . 42.3 m-85 -68.82 -28.46 66.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.644 -177.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -65.58 -33.65 76.41 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.297 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.94 2.52 38.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.97 98.62 1.44 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.233 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -82.94 153.02 25.26 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.4 tp -71.71 101.3 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.955 0.407 . . . . 0.0 110.119 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.471 ' HB2' HD12 ' A' ' 129' ' ' ILE . 85.1 m -128.29 147.79 65.12 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.907 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -75.99 154.29 37.82 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.068 1.845 . . . . 0.0 112.42 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.24 99.7 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 173.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.8 tp -83.23 -1.53 53.34 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.988 -173.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.9 m -113.06 15.9 19.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.514 -176.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -113.99 138.41 50.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.349 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.543 ' HA ' ' CD1' ' A' ' 41' ' ' ILE . . . -76.57 -31.37 57.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.308 -0.405 . . . . 0.0 112.082 -174.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -76.48 -47.31 23.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.001 0.429 . . . . 0.0 109.954 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -59.01 -45.73 89.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.538 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.526 ' HA ' ' HB3' ' A' ' 111' ' ' LEU . 41.6 ttm -69.02 -21.92 64.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -69.68 -40.56 76.31 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.047 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.404 ' HB3' HD21 ' A' ' 120' ' ' LEU . 34.9 m-85 -68.27 -43.42 77.82 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 172.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.526 ' HB3' ' HA ' ' A' ' 108' ' ' MET . 9.5 tt -56.61 -42.79 79.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.432 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.917 ' HG3' HG23 ' A' ' 31' ' ' VAL . 15.9 ttm-85 -69.37 -13.92 62.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 111.158 -176.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -116.96 11.89 14.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.187 0.517 . . . . 0.0 110.516 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.476 ' CZ2' ' HA2' ' A' ' 116' ' ' GLY . 70.5 t90 -69.0 110.01 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.369 178.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -92.75 28.09 2.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.956 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.476 ' HA2' ' CZ2' ' A' ' 114' ' ' TRP . . . 81.25 14.62 78.51 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.375 -0.917 . . . . 0.0 110.98 -174.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.741 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 2.0 m -67.62 113.5 5.48 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.263 -0.469 . . . . 0.0 110.624 -178.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -65.73 -43.17 89.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.27 -24.37 73.48 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.483 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.741 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 4.9 tt -64.7 -24.17 67.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.048 0.451 . . . . 0.0 109.935 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.474 HD23 HD12 ' A' ' 124' ' ' LEU . 96.2 mt -61.13 -22.15 64.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.396 . . . . 0.0 110.956 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -77.9 -20.72 52.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.757 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 34.8 p -89.67 -13.89 35.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.264 0.554 . . . . 0.0 109.812 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.474 HD12 HD23 ' A' ' 121' ' ' LEU . 82.3 mt -86.89 140.65 29.43 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.006 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -81.06 84.54 6.47 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.716 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 35.0 mt -96.17 124.5 40.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.178 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 17.5 pt -126.31 -176.53 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.1 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 128' ' ' ARG . 20.9 mtp180 -96.65 118.49 33.23 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.471 HD12 ' HB2' ' A' ' 99' ' ' CYS . 48.2 mt -119.4 128.02 75.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 121.065 0.46 . . . . 0.0 110.349 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 1.015 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 21.9 t-20 -68.91 152.77 44.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.908 177.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.536 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 1.8 t70 -33.37 -43.48 0.12 Allowed 'General case' 0 N--CA 1.475 0.798 0 O-C-N 124.694 1.247 . . . . 0.0 113.666 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.536 ' HG3' ' OD2' ' A' ' 131' ' ' ASP . 50.3 mttp -97.45 37.05 1.39 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.963 0.411 . . . . 0.0 111.909 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 63.88 36.6 93.5 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.333 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 1.015 ' HB2' ' HB3' ' A' ' 130' ' ' ASN . 71.3 mm-40 -99.1 137.48 37.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.818 0.342 . . . . 0.0 111.317 -176.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -66.41 119.1 11.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.759 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 37.5 t -121.99 124.31 71.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.947 0.403 . . . . 0.0 110.992 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 54.8 t -100.07 -61.26 2.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 170.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.03 -71.83 1.67 Allowed Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 114.996 -1.002 . . . . 0.0 113.496 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.92 35.19 40.06 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -171.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 60.6 t30 57.84 55.04 5.67 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.575 0.702 . . . . 0.0 109.878 -174.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--O 1.25 1.116 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.418 -178.829 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.735 0.303 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -64.58 165.83 9.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.281 -174.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -79.45 171.14 15.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.562 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -100.22 -5.31 27.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.613 0.72 . . . . 0.0 109.683 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -67.27 121.64 16.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.399 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.7 mt -103.68 130.39 54.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.05 147.5 27.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.057 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.23 170.3 16.47 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.845 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -70.91 88.59 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.143 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -159.49 -57.95 0.06 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.558 176.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -93.89 109.43 21.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.488 ' HB3' ' OE1' ' A' ' 88' ' ' GLN . 90.8 mt -70.92 82.8 0.66 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.736 -174.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -178.88 -39.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.502 175.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -123.18 98.55 5.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.161 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -134.57 174.58 10.39 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.587 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' C ' ' H ' ' A' ' 18' ' ' VAL . 75.7 mmtt -56.58 149.72 16.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.786 0.327 . . . . 0.0 110.424 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -75.81 17.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.083 0.468 . . . . 0.0 110.952 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.435 ' H ' ' C ' ' A' ' 16' ' ' LYS . 92.7 t -58.68 -31.62 44.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.298 175.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -56.0 -38.52 70.57 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.396 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -94.03 -60.18 1.8 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.032 -175.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.3 mt -69.05 -31.85 70.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.563 -168.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.34 -31.13 68.29 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.982 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.69 ' HD3' HD12 ' A' ' 51' ' ' ILE . 83.8 mtt180 -65.09 -41.37 95.07 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.44 -42.56 84.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.527 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 11.4 tmtt? -58.16 -45.31 87.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.642 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -56.56 -45.82 81.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.455 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.634 ' SD ' HD21 ' A' ' 102' ' ' LEU . 63.0 mtt -62.75 -49.97 72.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 178.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 111' ' ' LEU . 35.1 tt0 -53.33 -48.2 68.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.299 0.571 . . . . 0.0 110.418 177.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.55 -52.93 63.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.813 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.496 HG13 ' HB2' ' A' ' 36' ' ' PHE . 54.9 t -58.25 -42.42 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.2 t -71.0 -32.73 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.091 0.472 . . . . 0.0 111.411 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -103.16 7.81 38.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.547 -174.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.654 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 35.5 t -122.82 148.05 45.84 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -63.4 1.69 0.5 Allowed 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.5 m -56.6 -54.13 49.61 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.682 0.277 . . . . 0.0 110.725 175.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.496 ' HB2' HG13 ' A' ' 30' ' ' VAL . 71.2 m-85 -141.16 29.22 1.84 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.037 0.446 . . . . 0.0 110.116 176.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.654 ' HB2' ' O ' ' A' ' 33' ' ' SER . 61.0 tttm -66.74 -11.8 56.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.393 -175.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.77 -18.52 72.38 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.557 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -116.34 94.42 42.52 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.7 -29.01 36.6 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.825 2.35 . . . . 0.0 112.41 -177.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.474 HD13 ' HG3' ' A' ' 108' ' ' MET . 21.6 mm -122.08 136.9 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.032 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -114.16 156.35 24.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.056 0.455 . . . . 0.0 110.599 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -93.12 179.39 5.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.463 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.564 ' O ' ' HB ' ' A' ' 47' ' ' THR . 18.3 m-70 -77.05 -24.09 52.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.885 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.64 -39.47 52.21 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -64.98 -23.63 67.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.466 172.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.564 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 99.9 m -61.24 -57.51 12.1 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 171.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.476 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 20.2 ttt180 -55.83 -40.23 72.51 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.335 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.14 -58.44 8.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.277 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -65.94 -36.32 83.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.872 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.69 HD12 ' HD3' ' A' ' 23' ' ' ARG . 23.2 mm -62.99 -46.65 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.987 176.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -64.38 -36.47 84.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.724 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 34.9 t -56.68 -46.39 81.18 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.023 0.439 . . . . 0.0 110.307 177.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -61.86 -44.77 96.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.675 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.674 HG22 ' HE ' ' A' ' 86' ' ' ARG . 36.4 mt -69.62 -33.68 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.69 -30.76 69.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.927 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 53' ' ' SER . 66.3 mtt-85 -78.07 -17.12 57.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.668 -177.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.14 -38.24 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 172.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.411 ' HB2' ' HD2' ' A' ' 86' ' ' ARG . 17.7 t70 -67.27 -20.43 65.64 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.252 177.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.41 ' OG1' ' HA ' ' A' ' 57' ' ' ARG . 24.5 m -64.29 -29.55 70.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.48 177.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -83.81 -29.75 27.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.542 0.687 . . . . 0.0 109.155 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 37.3 tp -67.34 -48.12 68.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.584 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.453 ' HA ' ' HB3' ' A' ' 66' ' ' LYS . 28.1 t70 -72.73 -21.07 61.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -61.94 -41.42 97.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 174.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.7 mt -68.16 -39.6 82.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.001 174.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.453 ' HB3' ' HA ' ' A' ' 63' ' ' ASP . 27.2 ttpp -71.02 -28.25 64.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.657 -174.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -64.42 -23.57 67.33 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.793 0.33 . . . . 0.0 111.543 176.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.654 ' HB3' ' O ' ' A' ' 71' ' ' SER . 65.0 mttm -77.99 -47.05 19.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.347 -174.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.504 ' HG2' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 51.48 -62.1 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.58 1.552 . . . . 0.0 114.441 -177.502 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.504 ' H ' ' HG2' ' A' ' 69' ' ' ARG . 49.5 ttm-85 -116.39 -41.86 3.07 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.911 -0.493 . . . . 0.0 110.419 178.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.654 ' O ' ' HB3' ' A' ' 68' ' ' LYS . 15.6 m -65.68 132.76 49.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.329 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.535 ' HB3' ' HD3' ' A' ' 68' ' ' LYS . 46.1 t-20 73.7 -32.28 0.24 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.444 0.697 . . . . 0.0 110.29 -178.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.512 ' H ' ' C ' ' A' ' 71' ' ' SER . 10.7 mtm180 73.66 102.66 0.03 OUTLIER Pre-proline 0 C--N 1.333 -0.147 0 C-N-CA 123.892 0.877 . . . . 0.0 110.538 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 35.9 Cg_endo -64.95 136.84 50.33 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.7 2.267 . . . . 0.0 112.063 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.887 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 37.0 Cg_exo -60.04 113.53 1.7 Allowed 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.778 2.318 . . . . 0.0 111.794 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.0 p -59.17 -31.74 69.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.842 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -86.98 -51.58 5.94 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.856 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.887 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 82.7 mtt180 -59.08 -43.29 91.8 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.2 -47.14 85.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 0.0 110.554 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.44 -43.05 87.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.629 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.9 tp -63.09 -42.48 99.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.705 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.4 tp -67.2 -41.18 86.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.917 0.389 . . . . 0.0 110.221 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -57.96 -48.93 78.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.914 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -71.95 -24.63 61.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.995 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.6 ttp85 -65.94 -46.95 76.3 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.674 ' HE ' HG22 ' A' ' 55' ' ' ILE . 60.3 ttt180 -67.94 -34.61 76.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.854 176.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -55.73 -47.91 76.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.274 175.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.488 ' OE1' ' HB3' ' A' ' 12' ' ' LEU . 36.5 tt0 -63.89 -43.33 96.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.475 177.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -57.34 -45.14 84.63 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.304 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.37 -47.56 70.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.072 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.23 -36.71 82.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.861 0.362 . . . . 0.0 110.656 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.32 -40.51 89.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.302 0.572 . . . . 0.0 109.906 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.445 ' CE1' HG21 ' A' ' 51' ' ' ILE . 33.0 t80 -72.57 -28.19 62.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.817 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -74.96 -37.89 61.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.593 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.28 -39.79 28.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.016 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 145.43 112.24 0.77 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.804 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -116.58 154.49 30.39 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.17 -0.308 . . . . 0.0 110.17 -178.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.1 tp -70.12 98.96 1.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.349 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.514 ' HB2' HD12 ' A' ' 129' ' ' ILE . 38.6 m -128.15 141.61 41.85 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.703 ' HA ' ' HA ' ' A' ' 126' ' ' LEU . 64.1 Cg_endo -75.29 147.33 32.71 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.246 1.964 . . . . 0.0 112.853 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -71.02 114.68 9.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.27 176.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.634 HD21 ' SD ' ' A' ' 27' ' ' MET . 44.0 mt -87.19 -16.83 34.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.807 -177.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.7 p -89.16 21.77 3.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.281 0.562 . . . . 0.0 111.152 -172.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -127.52 125.87 41.18 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.547 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.58 -28.06 62.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.002 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 32.2 mttp -69.8 -36.59 75.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.528 ' OD1' HD23 ' A' ' 124' ' ' LEU . 52.1 t30 -71.74 -37.52 70.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.406 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.529 ' SD ' HD12 ' A' ' 111' ' ' LEU . 20.0 mmt -60.45 -32.89 71.81 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.895 0.378 . . . . 0.0 110.502 173.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.491 ' HB3' ' O ' ' A' ' 106' ' ' LYS . 38.4 tt0 -59.35 -48.28 82.22 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.479 ' HB3' ' HG ' ' A' ' 124' ' ' LEU . 59.3 m-85 -59.26 -33.6 71.24 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.514 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.529 HD12 ' SD ' ' A' ' 108' ' ' MET . 19.6 mt -63.11 -32.97 74.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.95 0.405 . . . . 0.0 110.794 175.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -80.91 -1.81 45.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.399 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -105.48 -30.48 9.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.768 0.318 . . . . 0.0 110.693 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.723 ' HA ' HD13 ' A' ' 120' ' ' LEU . 26.6 t90 -64.97 127.31 31.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.164 0.507 . . . . 0.0 110.751 -178.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -126.92 9.99 6.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.569 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 119.96 -14.72 10.4 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.351 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.2 m -57.31 123.66 16.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 111.064 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.544 ' HA ' HD23 ' A' ' 121' ' ' LEU . 85.6 m-85 -71.51 -33.35 69.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.529 -174.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.26 -18.34 69.23 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.546 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.723 HD13 ' HA ' ' A' ' 114' ' ' TRP . 2.3 tt -79.08 -11.61 59.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.087 0.47 . . . . 0.0 110.105 -177.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 118' ' ' PHE . 3.8 mm? -75.57 -5.55 45.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.212 0.529 . . . . 0.0 110.431 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -99.92 -23.2 15.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.98 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 81.7 p -87.32 -33.36 19.23 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.445 0.64 . . . . 0.0 109.42 176.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.528 HD23 ' OD1' ' A' ' 107' ' ' ASN . 0.7 OUTLIER -70.88 131.98 44.57 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.423 169.399 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 100' ' ' PRO . 14.0 mtm180 -79.34 80.16 5.73 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.05 -177.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.703 ' HA ' ' HA ' ' A' ' 100' ' ' PRO . 8.8 mp -94.87 117.09 29.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 171.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.648 HG13 HG13 ' A' ' 129' ' ' ILE . 29.3 pt -112.63 -171.2 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.384 -177.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 128' ' ' ARG . 29.1 mtm-85 -96.74 103.6 15.53 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.648 HG13 HG13 ' A' ' 127' ' ' ILE . 35.6 mt -113.92 130.93 67.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.146 -174.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -118.63 144.11 46.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.263 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 46.04 -104.29 0.09 Allowed 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.476 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 39.4 tttm -86.53 50.53 2.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.556 0.693 . . . . 0.0 111.13 -169.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.46 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 62.29 25.89 67.18 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.961 175.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -94.56 137.04 34.17 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.013 0.406 . . . . 0.0 110.34 -174.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -77.32 125.38 29.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.198 0.523 . . . . 0.0 110.219 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 17.3 t -82.89 102.23 8.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.245 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 11.1 m -76.98 -42.02 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.65 -144.07 39.68 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.537 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -95.99 32.49 6.33 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.897 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -128.5 91.46 3.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.959 0.409 . . . . 0.0 110.427 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 C--O 1.245 0.826 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.871 176.267 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -102.69 -28.74 11.93 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 169.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.478 ' HB2' ' H ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -116.55 -154.88 0.56 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.064 172.151 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.478 ' H ' ' HB2' ' A' ' 3' ' ' GLU . 5.5 m-20 -70.46 -76.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -176.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.9 mttm 66.92 12.21 8.8 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.633 0.583 . . . . 0.0 110.704 -171.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.0 mt -106.42 113.72 43.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.734 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -122.59 170.54 9.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.171 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.48 133.26 48.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.417 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.85 141.06 55.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -82.83 32.23 0.42 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.857 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -113.55 148.63 35.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.436 -175.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.8 mt -76.92 -24.43 52.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.282 0.563 . . . . 0.0 109.951 175.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -144.35 149.9 36.92 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -70.09 173.3 6.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.096 0.474 . . . . 0.0 111.891 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.21 -64.76 0.76 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.756 -175.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -96.02 132.49 41.32 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.45 ' O ' HD13 ' A' ' 21' ' ' LEU . 8.7 mtm180 -119.16 -161.23 0.84 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.357 -174.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.413 HG12 ' HB2' ' A' ' 22' ' ' ALA . 25.8 t -95.93 -11.84 8.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.532 0.682 . . . . 0.0 109.279 176.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -58.5 -38.95 78.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.704 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -85.44 -51.85 6.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.562 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 17' ' ' ARG . 9.8 mp -63.13 -35.66 81.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.347 -172.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.413 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -60.9 -32.27 71.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.838 0.351 . . . . 0.0 111.466 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -77.03 -27.53 54.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.507 -177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.68 -40.46 84.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.949 174.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.685 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 15.7 tttm -72.15 -28.97 63.59 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.617 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.481 ' O ' HG23 ' A' ' 30' ' ' VAL . 85.8 t80 -61.77 -48.04 82.47 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 174.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.686 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.7 mtt -56.13 -48.33 76.44 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 174.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.539 ' HG3' ' HA ' ' A' ' 112' ' ' ARG . 31.4 tt0 -50.71 -56.81 10.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.39 177.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -45.96 82.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.171 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.592 HG12 ' HB2' ' A' ' 36' ' ' PHE . 94.2 t -63.93 -44.64 98.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -177.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 27' ' ' MET . 12.4 t -75.01 -31.8 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.105 0.479 . . . . 0.0 111.186 -177.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -86.38 -29.79 22.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.964 0.412 . . . . 0.0 111.027 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 40.7 t -85.67 164.75 17.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.057 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.4 -5.82 12.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.052 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.2 m -50.45 -53.08 32.29 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.836 176.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.592 ' HB2' HG12 ' A' ' 30' ' ' VAL . 14.9 m-85 -142.79 23.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.785 177.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' ' 33' ' ' SER . 7.2 ttpm? -65.65 -12.15 50.98 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.19 0.519 . . . . 0.0 110.437 178.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.94 -22.05 76.97 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.764 173.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -116.56 109.92 43.19 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.99 -45.74 30.29 Favored 'Trans proline' 0 N--CA 1.471 0.174 0 C-N-CA 122.813 2.342 . . . . 0.0 113.228 -175.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.597 HD11 ' HA ' ' A' ' 105' ' ' ALA . 16.8 mt -137.84 151.64 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -178.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -95.07 -179.52 4.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.595 0.712 . . . . 0.0 112.054 -174.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.478 ' H ' ' HB2' ' A' ' 46' ' ' HIS . 2.2 m-20 -95.24 166.11 12.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.814 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.497 ' O ' ' HB ' ' A' ' 47' ' ' THR . 11.5 m-70 -71.95 -29.61 64.45 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 171.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.89 -27.14 66.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.498 172.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.478 ' HB2' ' H ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -79.35 -21.88 45.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.109 176.188 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.497 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 97.4 m -60.57 -60.24 4.12 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 172.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.783 HH11 ' HB3' ' A' ' 132' ' ' LYS . 19.2 ptt180 -60.45 -32.15 71.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.607 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.39 -56.26 22.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.244 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -69.52 -49.99 49.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.983 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.9 mm -62.31 -48.44 88.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.568 -174.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -69.53 -42.52 74.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.201 -176.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.2 m -60.99 -33.58 73.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.748 0.309 . . . . 0.0 110.949 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -65.9 -37.22 85.52 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.45 ' HA ' ' OE2' ' A' ' 89' ' ' GLU . 69.4 mt -69.52 -42.43 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.354 0.597 . . . . 0.0 110.284 175.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.44 -18.68 65.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.611 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 57' ' ' ARG . 10.3 ttt180 -63.1 -23.8 67.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.666 0.269 . . . . 0.0 110.96 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.461 ' CG ' HH21 ' A' ' 85' ' ' ARG . 21.7 t0 -63.47 -22.13 66.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.253 0.549 . . . . 0.0 110.035 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.11 -25.34 62.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.012 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.6 m -78.26 -36.17 47.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.173 176.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.5 -35.3 75.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.49 HD11 ' HG3' ' A' ' 79' ' ' GLN . 59.5 tp -69.72 -27.31 64.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.517 174.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.522 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 34.4 t70 -62.72 -29.2 70.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.326 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -59.91 -37.78 80.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.943 173.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.404 HD22 ' HG2' ' A' ' 75' ' ' PRO . 90.3 mt -79.1 -30.69 43.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.36 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HD2' ' HA ' ' A' ' 63' ' ' ASP . 92.1 mttt -63.4 -44.96 93.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.38 177.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.422 ' HE3' ' OD2' ' A' ' 63' ' ' ASP . 95.5 mttt -67.68 -38.17 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.994 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -83.79 24.74 0.86 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -175.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -70.78 94.51 1.04 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 166.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 70' ' ' ARG . 25.3 mtm180 -80.37 72.43 7.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.066 0.46 . . . . 0.0 111.792 -170.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 t 65.82 -73.7 0.06 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.896 173.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -76.81 -41.11 45.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.598 0.237 . . . . 0.0 111.468 -169.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -152.19 152.04 28.74 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-O 120.921 0.391 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -89.25 -179.29 1.99 Allowed 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.451 2.767 . . . . 0.0 110.255 169.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.404 ' HG2' HD22 ' A' ' 65' ' ' LEU . 23.5 Cg_exo -64.81 85.88 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.01 1.806 . . . . 0.0 111.439 174.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.1 m -48.66 -48.49 39.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.532 -173.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -89.51 -46.06 8.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.45 -27.43 65.24 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -172.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.49 ' HG3' HD11 ' A' ' 62' ' ' LEU . 53.1 tt0 -71.96 -39.7 69.17 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.72 -35.65 66.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.903 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.32 -42.89 99.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.274 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 1.2 tm? -58.19 -49.65 76.31 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 174.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -58.24 -39.93 80.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.125 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.26 -29.05 65.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.298 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.461 HH21 ' CG ' ' A' ' 58' ' ' ASP . 3.5 tmm_? -68.1 -49.4 61.45 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 174.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -53.7 -42.87 68.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.225 174.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.33 -48.67 72.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.274 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.723 ' HA ' ' HD2' ' A' ' 91' ' ' LYS . 48.9 tt0 -61.77 -36.35 80.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.411 . . . . 0.0 110.869 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.45 ' OE2' ' HA ' ' A' ' 55' ' ' ILE . 22.1 tt0 -65.65 -44.46 86.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.5 178.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -64.9 -26.95 68.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.256 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.723 ' HD2' ' HA ' ' A' ' 88' ' ' GLN . 62.4 mttt -65.51 -52.5 52.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.645 174.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.51 -37.48 87.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.785 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.82 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 49.2 t80 -66.72 -53.06 37.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.144 177.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.748 ' HA ' ' OD1' ' A' ' 130' ' ' ASN . 1.2 ttpm? -81.64 10.55 5.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.687 -171.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -109.5 10.77 25.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.226 0.536 . . . . 0.0 109.842 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.13 80.28 1.49 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.314 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.82 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 60.7 t80 -75.62 145.34 41.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.804 0.335 . . . . 0.0 110.688 -175.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.7 tp -74.37 96.09 2.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.929 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 52.4 t -128.51 142.84 46.1 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.494 -175.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.77 149.97 89.62 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.314 2.01 . . . . 0.0 111.022 172.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.31 -28.67 69.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.366 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.458 HD21 ' SD ' ' A' ' 27' ' ' MET . 81.7 mt 56.53 36.97 28.41 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.115 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.2 m -135.27 -33.48 0.9 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.665 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.66 131.69 35.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.707 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.597 ' HA ' HD11 ' A' ' 41' ' ' ILE . . . -72.85 -34.61 66.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.208 -175.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -75.42 -33.76 60.97 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.783 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -64.76 -35.88 82.49 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 170.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -36.22 83.13 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.022 175.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 105' ' ' ALA . 43.2 mm-40 -64.58 -54.84 25.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.381 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -58.9 -32.71 69.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.472 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.87 -43.87 97.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.441 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.539 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 66.4 mtm180 -75.91 -18.72 59.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.46 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.47 18.24 22.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.981 0.419 . . . . 0.0 111.184 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.685 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 60.7 t90 -81.03 103.13 10.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.254 0.55 . . . . 0.0 110.458 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -88.64 10.18 21.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.705 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 109.7 -5.51 31.07 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.047 176.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.867 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 6.3 m -60.79 127.0 29.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.709 0.29 . . . . 0.0 111.31 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -70.82 -37.43 73.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.327 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -69.07 -15.67 69.88 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.535 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.867 ' HB2' ' HB ' ' A' ' 117' ' ' THR . 3.3 tt -71.76 -25.68 62.14 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.76 -20.28 66.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.399 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -76.67 -17.77 58.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.656 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 42.6 p -94.16 -8.36 39.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.462 0.649 . . . . 0.0 109.971 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 64.5 mt -98.31 130.48 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.287 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.4 mtt85 -78.5 78.74 4.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.918 0.866 . . . . 0.0 110.098 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 35.4 mt -89.14 107.03 18.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.169 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.521 HD12 ' HG3' ' A' ' 135' ' ' GLN . 18.4 pt -106.95 -176.2 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.832 -174.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -96.77 111.05 23.39 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.855 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 48.6 mt -116.01 133.89 61.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.748 ' OD1' ' HA ' ' A' ' 94' ' ' LYS . 60.0 t30 -137.68 162.4 33.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.985 0.421 . . . . 0.0 111.42 -174.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.8 t70 70.87 -87.35 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 114.464 -1.244 . . . . 0.0 112.18 170.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.783 ' HB3' HH11 ' A' ' 48' ' ' ARG . 9.0 mtmp? -135.57 22.79 3.4 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.659 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 109.92 30.72 3.35 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.252 -0.975 . . . . 0.0 113.38 172.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -106.58 144.75 32.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.998 0.428 . . . . 0.0 110.901 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.521 ' HG3' HD12 ' A' ' 127' ' ' ILE . 53.8 tt0 -78.08 120.25 22.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.841 -176.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.6 t -96.8 107.62 20.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.883 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 32.6 m -91.74 171.39 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.749 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -99.74 5.48 58.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.264 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 84.31 13.19 74.36 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.111 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -105.89 -53.77 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.233 0.54 . . . . 0.0 109.745 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.111 -0.947 . . . . 0.0 109.192 178.292 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -96.42 114.0 25.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.005 -176.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -78.05 159.02 28.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.537 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -97.71 157.12 16.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.108 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -78.18 -29.47 48.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.478 0.656 . . . . 0.0 109.296 174.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.4 mt -121.24 122.39 67.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.461 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.9 161.94 27.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.482 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.75 -29.66 66.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.165 0.507 . . . . 0.0 110.904 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -117.38 162.03 18.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.965 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.556 ' NZ ' ' HB3' ' A' ' 10' ' ' LYS . 5.7 mtpm? -76.46 133.33 39.85 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.18 0.514 . . . . 0.0 112.291 -176.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.1 124.04 18.64 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 163.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 92.9 mt -81.26 -84.06 0.11 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -167.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 60.8 t-80 165.95 -25.53 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -168.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -123.68 29.23 6.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.732 -177.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -67.69 -32.88 73.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.004 -174.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -117.47 140.75 49.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.645 175.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -74.18 0.92 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -171.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.504 ' HA ' ' HB2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -72.91 0.58 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.348 176.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -83.68 -26.74 29.56 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 173.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -84.79 -37.59 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 172.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 84.8 mt -67.69 -27.84 67.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.899 174.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 18' ' ' VAL . . . -62.11 -21.99 65.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.291 176.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -69.91 -37.66 76.03 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.9 t -68.63 -39.36 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.566 173.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -65.3 -33.54 76.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.823 177.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.447 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.5 t80 -59.54 -45.59 91.35 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.646 ' O ' HG23 ' A' ' 31' ' ' VAL . 61.3 mtt -57.49 -47.9 80.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.688 174.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -52.61 -54.09 37.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.051 176.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.09 -47.48 71.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.558 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.517 HG12 ' HB2' ' A' ' 36' ' ' PHE . 77.4 t -62.72 -42.28 95.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 -177.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 27' ' ' MET . 11.8 t -72.22 -15.86 18.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 121.257 0.551 . . . . 0.0 110.63 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -105.04 -1.58 25.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.744 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 t -105.1 164.89 11.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.082 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -65.7 -20.76 66.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.704 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 m -47.78 -48.72 30.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.517 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.517 ' HB2' HG12 ' A' ' 30' ' ' VAL . 22.7 m-85 -141.3 38.37 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.062 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -58.11 -12.36 3.4 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.03 -22.31 39.01 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.83 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -116.65 107.22 46.95 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.917 0.359 . . . . 0.0 111.409 -178.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.48 -28.57 10.04 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.579 2.186 . . . . 0.0 111.302 174.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 105' ' ' ALA . 14.2 mm -121.92 150.73 25.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.426 -178.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.798 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 67.5 m-85 -122.05 -169.89 1.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.164 0.507 . . . . 0.0 111.324 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -122.7 163.79 19.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.296 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.869 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 50.6 m170 -61.38 -23.56 65.87 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.85 74.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.203 0.525 . . . . 0.0 110.19 173.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.466 ' HA ' ' HB3' ' A' ' 49' ' ' GLU . 89.8 m-70 -81.69 -16.48 51.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.082 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.525 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 56.0 m -60.85 -59.18 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 171.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.556 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 23.2 ttt180 -57.98 -39.22 77.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.2 177.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 46' ' ' HIS . 41.8 tt0 -53.46 -55.27 26.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.651 176.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -68.68 -44.77 73.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.758 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 47' ' ' THR . 42.3 mm -62.73 -48.66 87.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.147 -177.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -65.53 -35.44 80.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.843 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.5 m -63.12 -35.66 81.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 110.993 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -72.02 -35.51 69.43 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.504 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 71.0 mt -68.05 -36.27 74.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.15 0.5 . . . . 0.0 110.189 176.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -69.32 -23.01 63.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.416 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -65.76 -12.24 52.35 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.507 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.504 ' HB3' ' O ' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -57.3 -46.08 83.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.984 170.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.466 ' HA ' ' HB3' ' A' ' 62' ' ' LEU . 5.9 t70 -68.23 -21.95 64.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.104 -177.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.6 m -65.72 -47.72 74.41 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.339 175.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.43 -33.83 63.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.073 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 59' ' ' ASP . 54.8 tp -65.43 -31.46 72.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.405 176.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.711 ' HA ' ' CE ' ' A' ' 66' ' ' LYS . 21.7 t70 -64.91 -36.69 85.17 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.444 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -62.26 -40.88 97.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.275 175.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' ' 79' ' ' GLN . 80.6 mt -67.88 -37.01 81.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.74 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.711 ' CE ' ' HA ' ' A' ' 63' ' ' ASP . 49.7 mtmt -67.35 -35.81 80.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.605 176.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -79.32 -37.59 37.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.722 -176.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -78.34 -4.7 49.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.333 0.587 . . . . 0.0 110.367 177.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.453 ' HB3' ' O ' ' A' ' 66' ' ' LYS . 60.2 ttt180 -78.08 69.61 4.32 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 172.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -75.03 -43.89 50.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.715 -174.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.1 p -87.96 176.88 7.13 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.488 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -88.34 20.77 3.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.676 0.751 . . . . 0.0 109.396 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -124.15 76.46 59.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.613 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 32.3 Cg_endo -63.47 144.15 89.83 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.89 2.393 . . . . 0.0 112.482 177.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.495 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 12.7 Cg_exo -71.25 84.47 0.91 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.497 2.131 . . . . 0.0 111.313 175.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.7 t -54.65 -43.46 72.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.961 0.41 . . . . 0.0 110.544 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -66.34 -23.48 66.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.817 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.495 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 17.3 mtm180 -98.61 -45.78 5.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 111.188 -179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.522 ' HA ' HD13 ' A' ' 65' ' ' LEU . 51.8 tt0 -69.86 -37.13 76.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.807 0.337 . . . . 0.0 110.813 -175.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.3 t -72.86 -30.07 31.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.062 0.458 . . . . 0.0 109.91 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.441 ' HA ' ' HG2' ' A' ' 84' ' ' GLN . 54.6 tp -68.6 -33.93 74.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.207 177.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -64.75 -45.98 84.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -60.61 -19.05 56.76 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.254 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.441 ' HG2' ' HA ' ' A' ' 81' ' ' LEU . 29.1 mm-40 -60.18 -35.73 76.03 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.755 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.4 mtm105 -65.16 -48.52 73.21 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.07 0.462 . . . . 0.0 110.062 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -50.05 -55.62 14.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.013 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.44 -37.96 74.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.761 -177.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.463 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 10.2 tm0? -71.29 -44.5 65.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -176.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -70.93 -25.55 62.8 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.955 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.1 -35.5 69.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.977 0.417 . . . . 0.0 109.96 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 88' ' ' GLN . 43.0 tttm -60.46 -50.12 74.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.372 174.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.83 -28.7 67.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.193 178.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.11 -39.65 90.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.258 0.551 . . . . 0.0 110.157 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -77.51 -35.79 53.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.104 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.42 -25.53 33.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.873 -174.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 117.71 108.78 2.47 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.596 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.439 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 49.1 t80 -95.59 145.58 25.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -176.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.442 ' HG ' ' HB3' ' A' ' 126' ' ' LEU . 21.0 tp -75.5 103.04 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.529 -178.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.804 ' HB2' HD12 ' A' ' 129' ' ' ILE . 12.7 m -128.32 150.4 74.08 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.381 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.97 150.88 49.58 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.054 1.836 . . . . 0.0 111.034 174.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -71.26 107.38 4.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.286 0.565 . . . . 0.0 109.635 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.798 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 12.0 tp -74.78 3.83 7.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.211 -172.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 62.5 m -121.79 11.0 10.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.551 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 108' ' ' MET . 13.7 t70 -92.65 103.53 15.9 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.611 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -56.25 -35.97 68.0 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -168.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.582 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 38.1 tttm -88.98 -25.63 21.92 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 119.769 -0.772 . . . . 0.0 111.156 -176.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.459 ' HB2' ' OD1' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -73.48 -33.08 64.66 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 172.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 104' ' ' ASP . 94.9 mmm -67.37 -26.04 66.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.83 172.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.582 ' HB3' ' O ' ' A' ' 106' ' ' LYS . 34.8 tt0 -64.03 -49.82 70.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.828 173.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -64.47 -36.83 85.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.081 0.467 . . . . 0.0 110.159 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.427 ' HB3' ' HA ' ' A' ' 108' ' ' MET . 9.0 tt -66.97 -40.71 87.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.951 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.594 ' HE ' HG12 ' A' ' 31' ' ' VAL . 27.2 ttt180 -76.62 -27.3 55.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.76 0.314 . . . . 0.0 110.978 -177.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -105.19 20.76 18.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.186 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -62.4 110.22 1.59 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.51 0.671 . . . . 0.0 110.374 -176.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -76.68 -11.19 59.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.593 -177.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 91.32 58.29 1.47 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.417 -176.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.7 t -140.25 149.73 43.22 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -176.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.559 ' HA ' HD23 ' A' ' 121' ' ' LEU . 71.4 t80 -80.06 -16.12 55.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.01 0.433 . . . . 0.0 110.077 -177.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.2 -34.62 89.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.952 177.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 120' ' ' LEU . 49.4 mt -76.68 -2.36 32.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.79 0.329 . . . . 0.0 111.349 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 118' ' ' PHE . 4.5 mm? -85.24 -6.49 59.26 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.5 -33.14 17.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.294 171.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 75.9 p -80.41 -34.63 36.05 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.251 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 73.3 mt -75.74 130.43 38.64 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.269 174.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.444 HH12 ' CG ' ' A' ' 104' ' ' ASP . 1.7 mpp_? -104.72 82.28 1.87 Allowed 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.442 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . 10.4 mp -71.53 122.24 20.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.827 177.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.515 HD12 ' HG3' ' A' ' 135' ' ' GLN . 20.6 pt -106.6 177.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.198 -177.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.488 HH21 ' CD ' ' A' ' 141' ' ' GLU . 15.1 ttm180 -96.7 119.72 35.69 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.804 HD12 ' HB2' ' A' ' 99' ' ' CYS . 51.9 mt -112.05 129.18 67.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.287 0.565 . . . . 0.0 111.229 -176.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -106.57 129.97 54.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.998 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.534 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 28.6 t70 64.23 -80.98 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.158 0.911 . . . . 0.0 112.812 171.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.556 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 10.3 mtmp? -104.86 -69.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.176 0.513 . . . . 0.0 110.963 -178.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.869 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . -157.65 32.68 0.53 Allowed Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 129' ' ' ILE . 1.5 mp0 -83.76 129.53 34.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.38 -0.41 . . . . 0.0 110.065 -177.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.515 ' HG3' HD12 ' A' ' 127' ' ' ILE . 50.8 tt0 -86.43 106.4 17.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.155 0.502 . . . . 0.0 110.654 -175.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' A' ' 128' ' ' ARG . 3.5 t -82.58 90.36 2.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.61 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.473 HG13 ' HG2' ' A' ' 135' ' ' GLN . 18.5 m -91.59 157.34 2.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.95 -177.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.44 13.13 60.36 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.607 -0.806 . . . . 0.0 111.698 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.62 -15.66 81.08 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.608 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 56.7 75.8 0.34 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.299 0.571 . . . . 0.0 110.553 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.488 ' CD ' HH21 ' A' ' 128' ' ' ARG . 42.8 mt-10 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.636 -0.697 . . . . 0.0 109.8 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.6 mtp . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.917 0.389 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.578 ' HG2' ' H ' ' A' ' 4' ' ' ASP . 61.7 ttt180 -120.45 139.6 52.61 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -79.3 -18.26 53.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.923 0.392 . . . . 0.0 110.695 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.578 ' H ' ' HG2' ' A' ' 2' ' ' ARG . 25.9 m-20 -77.63 140.17 39.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.802 178.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -105.97 153.61 21.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.238 -178.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.2 tt -126.53 154.53 36.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.349 -176.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.84 150.23 30.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.331 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.15 -27.2 63.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.021 0.439 . . . . 0.0 111.081 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -91.62 142.53 27.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.381 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.6 14.39 1.67 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.607 -177.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -64.41 -30.82 71.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.108 0.48 . . . . 0.0 110.175 175.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.3 tp -81.73 -6.15 58.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.707 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -75.18 -24.13 57.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.128 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 55.12 76.93 0.23 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.158 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -84.98 151.01 24.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.247 -173.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.871 ' HD3' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -75.82 -29.32 58.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.081 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -67.1 -27.91 67.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.043 0.449 . . . . 0.0 110.195 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -67.34 -34.96 72.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.103 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -74.93 -8.85 57.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.373 0.606 . . . . 0.0 110.059 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -95.72 -46.79 6.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.572 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.7 mt -72.47 -29.23 63.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.011 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.513 ' HA ' ' HB3' ' A' ' 25' ' ' LYS . . . -56.42 -20.09 18.02 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 176.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -65.62 -39.46 91.52 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 70.3 t -73.88 -35.91 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.835 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.513 ' HB3' ' HA ' ' A' ' 22' ' ' ALA . 51.0 tptt -56.51 -45.67 80.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.514 175.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -60.18 -44.35 95.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.491 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.475 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.9 mtt -55.49 -45.89 76.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.717 176.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -62.88 -49.0 76.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.77 0.319 . . . . 0.0 110.602 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -60.21 -45.75 92.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.393 -177.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.544 HG22 ' HB2' ' A' ' 36' ' ' PHE . 9.4 p -67.8 -28.81 42.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 120.642 0.258 . . . . 0.0 111.479 -175.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 27' ' ' MET . 74.7 t -77.59 -35.01 21.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.064 0.459 . . . . 0.0 110.754 177.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -89.63 -7.59 54.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.92 -176.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 62.4 p -105.21 164.94 11.45 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -76.63 1.79 15.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.38 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.9 m -59.14 -50.35 74.38 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.994 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.544 ' HB2' HG22 ' A' ' 30' ' ' VAL . 28.5 m-85 -136.1 27.6 3.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 178.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 33' ' ' SER . 4.0 ttpm? -64.84 -14.29 58.87 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.008 0.432 . . . . 0.0 110.818 178.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.06 13.95 60.15 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.089 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.466 ' HG3' ' HD1' ' A' ' 36' ' ' PHE . 25.3 mm-40 -116.09 125.15 28.86 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 176.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -67.7 -70.94 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.433 2.089 . . . . 0.0 111.63 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' A' ' 105' ' ' ALA . 46.0 mm -131.93 148.42 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.414 ' HB2' ' HB3' ' A' ' 102' ' ' LEU . 81.9 m-85 -94.75 -171.81 2.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.39 0.614 . . . . 0.0 111.479 -177.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.467 ' HA ' ' OG ' ' A' ' 103' ' ' SER . 2.2 p30 -135.15 -174.12 3.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.219 -177.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.475 ' O ' ' HB ' ' A' ' 47' ' ' THR . 34.0 m170 -80.63 -21.36 41.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.849 0.357 . . . . 0.0 110.678 -177.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.02 -41.11 78.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.154 0.502 . . . . 0.0 110.013 176.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -69.17 -25.6 64.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.513 175.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.475 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 97.0 m -60.18 -53.44 57.65 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 170.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 48' ' ' ARG . 9.5 ttp85 -52.72 -47.48 67.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.593 175.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -59.11 -56.49 21.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.728 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -66.58 -46.6 75.44 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.498 ' HA ' ' HD2' ' A' ' 54' ' ' PHE . 46.6 mm -61.85 -39.43 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.886 0.374 . . . . 0.0 110.395 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -62.26 -42.89 99.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.058 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.69 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 85.9 p -61.59 -37.59 84.44 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.62 -178.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.498 ' HD2' ' HA ' ' A' ' 51' ' ' ILE . 49.6 m-85 -58.2 -47.14 84.39 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.916 0.388 . . . . 0.0 110.432 176.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.406 HG23 ' HB2' ' A' ' 86' ' ' ARG . 70.7 mt -59.79 -40.18 81.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.003 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -77.52 -13.81 59.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.909 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.69 ' HG3' ' O ' ' A' ' 53' ' ' SER . 63.5 mtp180 -82.94 -9.44 59.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.802 0.334 . . . . 0.0 110.752 178.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.79 -24.42 66.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.857 0.837 . . . . 0.0 109.131 171.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.22 -13.65 62.4 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.582 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 m -67.15 -37.1 83.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.788 0.328 . . . . 0.0 110.639 176.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -81.48 -30.55 33.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.217 0.532 . . . . 0.0 109.821 175.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.767 HD12 HD12 ' A' ' 65' ' ' LEU . 31.0 tp -68.22 -26.27 65.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.69 175.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.444 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 6.8 t70 -65.81 -30.37 70.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.203 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -66.11 -27.71 68.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.37 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.835 HD22 ' HG2' ' A' ' 75' ' ' PRO . 76.5 mt -80.41 -35.65 34.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.517 175.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.444 ' HD2' ' HA ' ' A' ' 63' ' ' ASP . 99.2 mttt -63.65 -36.17 82.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.672 176.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 63.6 mttp -64.92 -22.83 67.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.631 178.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.4 mttp -89.09 12.9 14.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -178.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 69' ' ' ARG . 25.9 ttm180 -66.39 -22.99 66.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.104 0.478 . . . . 0.0 109.904 172.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.495 ' HD2' ' N ' ' A' ' 70' ' ' ARG . 2.8 mpt_? -80.83 5.06 17.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.403 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.0 m -92.49 -164.73 1.22 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.162 171.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -86.48 -27.61 23.96 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.444 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 73' ' ' ARG . 43.1 ttm180 -157.15 117.09 2.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.443 -174.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 31.1 Cg_exo -60.61 146.35 97.23 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.638 2.225 . . . . 0.0 111.506 171.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.835 ' HG2' HD22 ' A' ' 65' ' ' LEU . 23.3 Cg_exo -65.55 90.07 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 123.03 2.487 . . . . 0.0 112.848 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.0 m -59.76 -35.24 74.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.733 0.301 . . . . 0.0 111.025 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -72.92 -49.33 30.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.919 0.39 . . . . 0.0 110.514 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.571 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 37.7 mmt180 -68.99 -46.13 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.64 -176.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.545 ' HG3' HD11 ' A' ' 62' ' ' LEU . 50.0 tt0 -58.71 -47.58 84.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.336 -176.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.472 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 99.5 t -68.92 -47.1 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.661 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.29 -34.91 72.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.767 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.467 HD12 ' HD2' ' A' ' 85' ' ' ARG . 50.5 tp -71.45 -49.54 40.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.093 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 53.3 tt0 -63.19 -28.37 70.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.719 0.295 . . . . 0.0 111.251 -177.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 97.8 mt-30 -60.07 -28.4 67.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.67 0.271 . . . . 0.0 111.26 177.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.467 ' HD2' HD12 ' A' ' 82' ' ' LEU . 99.5 mtt180 -66.03 -49.16 68.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.823 -178.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 83' ' ' GLN . 8.4 ptp180 -69.93 -28.62 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.379 . . . . 0.0 110.187 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -70.55 -41.72 72.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.49 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -63.67 -42.0 98.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.895 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -55.7 -47.73 76.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.828 175.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 82.8 mt -56.13 -42.97 77.77 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.258 176.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -64.74 -46.41 82.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.358 -178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -69.13 -40.15 78.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.714 0.292 . . . . 0.0 110.567 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.877 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 37.5 t80 -64.16 -39.15 93.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.925 0.393 . . . . 0.0 110.476 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.461 ' HA ' ' N ' ' A' ' 131' ' ' ASP . 65.3 tttp -67.07 -35.59 80.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.15 -27.32 60.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.993 0.425 . . . . 0.0 110.944 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.67 84.67 0.26 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.619 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.877 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 53.2 t80 -82.03 149.13 28.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.04 98.67 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.989 0.423 . . . . 0.0 110.743 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.526 ' SG ' ' HD2' ' A' ' 97' ' ' PHE . 83.7 m -128.41 148.39 67.81 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.045 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -76.52 142.33 23.3 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.149 1.899 . . . . 0.0 111.881 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.48 109.53 5.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.03 0.443 . . . . 0.0 109.859 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.432 HD21 ' SD ' ' A' ' 27' ' ' MET . 16.8 mt -83.72 -0.56 51.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.126 -175.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.467 ' OG ' ' HA ' ' A' ' 43' ' ' ASP . 67.4 m -97.52 -1.11 44.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.061 0.458 . . . . 0.0 111.112 -178.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.404 ' OD2' ' HB2' ' A' ' 106' ' ' LYS . 18.2 t70 -100.9 116.4 32.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.114 177.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -67.12 -23.74 65.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.898 -176.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.404 ' HB2' ' OD2' ' A' ' 104' ' ' ASP . 92.4 mttt -76.14 -48.92 18.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -63.52 -39.5 94.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.807 178.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 27.0 ttm -70.3 -25.89 63.53 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.939 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -70.97 -39.49 72.49 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -62.41 -46.22 89.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.081 0.467 . . . . 0.0 110.287 172.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.57 -31.75 71.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.707 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -67.54 -34.23 76.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.13 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -106.79 20.73 18.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.489 0.662 . . . . 0.0 110.293 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -61.87 148.08 44.55 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.142 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -132.98 -177.26 4.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.866 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.49 61.31 3.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.53 175.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.0 m -132.84 113.74 13.26 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.676 -0.262 . . . . 0.0 110.488 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.584 ' HA ' HD23 ' A' ' 121' ' ' LEU . 82.5 t80 -64.18 -23.97 67.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.059 0.457 . . . . 0.0 110.446 178.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.18 -21.27 68.0 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.457 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 63.8 mt -77.08 -12.6 59.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.096 0.474 . . . . 0.0 110.744 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 118' ' ' PHE . 4.0 mm? -79.51 -6.73 57.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.541 0.686 . . . . 0.0 109.236 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -99.71 -30.56 12.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.2 175.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 44.7 p -77.12 -35.44 56.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.764 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.44 139.5 57.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.598 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 mtm-85 -84.41 77.14 10.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.843 0.83 . . . . 0.0 109.016 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 24.0 mt -83.34 121.82 27.65 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.442 -1.254 . . . . 0.0 109.614 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 35.6 pt -118.67 -177.45 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.986 -175.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 128' ' ' ARG . 43.2 mtt-85 -96.82 127.99 43.34 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.071 174.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.478 HD12 ' HB2' ' A' ' 99' ' ' CYS . 53.0 mt -115.64 124.21 71.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.266 174.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.488 HD22 HG22 ' A' ' 136' ' ' VAL . 29.1 p30 -104.12 169.65 8.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.118 0.485 . . . . 0.0 111.972 -171.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.461 ' N ' ' HA ' ' A' ' 94' ' ' LYS . 13.4 t70 50.74 -91.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.887 178.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.453 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 62.7 mttp -149.45 79.91 1.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.432 ' O ' ' HB3' ' A' ' 44' ' ' HIS . . . 76.43 38.46 33.26 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.948 177.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.423 ' HB2' ' OD1' ' A' ' 130' ' ' ASN . 54.8 mt-10 -117.55 156.82 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.619 -0.342 . . . . 0.0 110.499 176.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -84.21 133.82 34.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.183 -168.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.488 HG22 HD22 ' A' ' 130' ' ' ASN . 59.2 t -106.2 136.38 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 169.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.5 t -67.21 -42.81 88.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.204 0.526 . . . . 0.0 110.379 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 129.41 15.4 2.02 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.59 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -76.86 5.31 48.73 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.804 -177.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -92.74 -3.83 54.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.169 0.509 . . . . 0.0 109.975 177.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.587 -0.72 . . . . 0.0 109.726 178.481 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.421 ' HB2' ' H ' ' A' ' 3' ' ' GLU . 50.9 mtm180 57.82 -95.02 0.05 Allowed 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.673 0.608 . . . . 0.0 111.395 178.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.523 ' HG3' ' HE3' ' A' ' 5' ' ' LYS . 6.8 pm0 -64.46 -34.03 77.26 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 176.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.3 t70 53.2 98.71 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 114.719 -1.128 . . . . 0.0 112.773 170.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.523 ' HE3' ' HG3' ' A' ' 3' ' ' GLU . 79.4 mttt -112.63 21.37 15.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.843 -176.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.591 HD11 ' HE3' ' A' ' 9' ' ' LYS . 35.2 pt -98.6 -9.18 9.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -173.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 58.73 -155.71 0.34 Allowed 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.247 0.342 . . . . 0.0 111.192 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 72.71 -38.93 0.43 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.775 0.83 . . . . 0.0 112.592 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.591 ' HE3' HD11 ' A' ' 6' ' ' ILE . 98.3 mttt -67.25 -40.22 86.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.784 0.326 . . . . 0.0 111.145 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -75.42 134.73 40.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.183 0.516 . . . . 0.0 110.258 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -67.69 -16.37 64.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.685 -165.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.6 -34.08 77.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.784 -0.189 . . . . 0.0 110.89 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 59.96 96.38 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -78.11 -13.12 59.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.657 0.742 . . . . 0.0 109.002 172.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.47 -35.24 69.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.646 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 53.7 tptt -57.67 -33.13 68.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.026 -176.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -85.06 -2.25 57.77 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -174.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.8 t -69.7 -38.51 76.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 168.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.495 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 34.5 t60 -59.28 -19.4 45.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.854 173.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.559 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . 21.3 mt-10 -93.89 -61.0 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.539 177.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.8 mt -68.27 -30.55 69.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -170.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.88 -31.16 69.53 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.071 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.559 ' HE ' ' HA ' ' A' ' 20' ' ' GLU . 54.4 mtm180 -65.11 -52.16 57.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.456 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t -63.19 -38.45 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.166 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HG2' ' HZ3' ' A' ' 114' ' ' TRP . 5.1 tmtt? -57.91 -48.43 79.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.037 177.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -64.65 -46.17 83.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.539 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.7 mtt -55.89 -47.51 77.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.568 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -62.95 -49.34 75.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.186 0.517 . . . . 0.0 110.767 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.91 -40.62 89.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.287 -174.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.543 HG22 ' HB2' ' A' ' 36' ' ' PHE . 9.9 p -75.52 -28.66 20.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.616 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 27' ' ' MET . 98.4 t -77.72 -37.07 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.096 0.474 . . . . 0.0 110.604 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -78.75 -20.59 49.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.695 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 60.3 p -96.76 167.38 11.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.795 0.331 . . . . 0.0 110.479 177.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.44 -9.22 52.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.749 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.0 m -58.02 -40.83 81.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.317 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.543 ' HB2' HG22 ' A' ' 30' ' ' VAL . 6.2 m-85 -144.08 21.63 1.75 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 33' ' ' SER . 6.8 ttpm? -68.44 -10.01 52.47 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.098 0.475 . . . . 0.0 110.332 178.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.02 -17.88 79.31 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.863 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -116.86 96.6 49.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.527 ' O ' ' HG2' ' A' ' 108' ' ' MET . 31.8 Cg_exo -61.94 -27.79 80.22 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.602 2.201 . . . . 0.0 112.153 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.6 mm -130.1 145.69 35.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.874 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.621 ' HB2' ' HB3' ' A' ' 102' ' ' LEU . 54.7 m-85 -112.79 175.38 5.46 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 175.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -117.79 -172.78 2.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.344 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.555 ' O ' ' HB ' ' A' ' 47' ' ' THR . 37.4 m80 -80.06 -23.62 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.837 -175.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.25 -39.28 75.12 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 177.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -68.99 -21.82 64.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.892 176.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 53.6 m -60.08 -58.52 8.17 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 170.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.422 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 19.6 ttt180 -53.92 -42.48 68.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.779 176.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.37 -56.8 16.63 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.469 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.2 -42.72 68.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.453 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.5 mm -65.25 -39.86 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.23 -177.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -63.74 -41.24 98.07 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.621 0.248 . . . . 0.0 110.564 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.9 m -65.06 -32.32 73.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.877 0.37 . . . . 0.0 111.018 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -62.57 -39.71 94.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.063 0.458 . . . . 0.0 109.857 175.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.5 mt -72.69 -36.9 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.06 176.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.19 -33.21 67.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.297 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -74.24 0.85 12.87 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -62.89 -32.3 73.54 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.84 -31.41 71.66 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.152 176.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.4 m -65.36 -47.31 76.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.069 0.461 . . . . 0.0 110.334 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.542 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 43.1 mt-10 -68.6 -36.62 78.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.176 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.442 HD11 ' HG3' ' A' ' 79' ' ' GLN . 30.9 tp -58.24 -42.93 87.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.059 175.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.427 ' HA ' ' HB3' ' A' ' 66' ' ' LYS . 24.4 t70 -72.06 -19.07 61.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.794 0.33 . . . . 0.0 110.448 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.542 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 54.8 mm-40 -66.91 -41.01 87.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.343 171.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.2 mp -66.47 -40.71 89.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.804 0.811 . . . . 0.0 109.282 172.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' HB3' ' HA ' ' A' ' 63' ' ' ASP . 9.8 tttm -63.59 -37.5 87.57 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.939 -1.482 . . . . 0.0 111.356 -176.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -99.17 1.43 44.93 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -67.54 -34.45 77.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.995 0.426 . . . . 0.0 110.244 -177.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.563 ' HG3' ' HB2' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -99.57 23.48 9.43 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.158 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 67.17 -85.79 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.741 176.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.1 p -158.38 17.98 0.22 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.436 0.636 . . . . 0.0 109.62 176.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.563 ' HB2' ' HG3' ' A' ' 69' ' ' ARG . 10.1 m120 -82.03 -61.29 1.95 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.417 -175.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -133.14 118.1 15.0 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.345 -176.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.06 143.98 99.57 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.737 2.291 . . . . 0.0 111.62 174.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.63 ' HG2' ' HB2' ' A' ' 79' ' ' GLN . 12.4 Cg_endo -57.3 -22.87 51.5 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.042 2.495 . . . . 0.0 112.71 -178.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.4 p 45.61 -93.77 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.121 0.968 . . . . 0.0 113.278 175.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -65.15 -37.13 86.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 110.646 -178.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -76.15 -22.73 55.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.688 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.63 ' HB2' ' HG2' ' A' ' 75' ' ' PRO . 51.4 tt0 -71.41 -43.05 67.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.889 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.514 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 59.9 t -66.22 -37.54 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.42 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.4 tp -59.02 -33.41 70.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.583 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 62' ' ' LEU . 3.5 tm? -69.53 -46.82 65.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.889 177.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.566 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 30.5 tt0 -57.52 -35.05 69.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.15 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 97.3 mt-30 -58.9 -20.83 55.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.741 -177.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -63.06 -50.9 68.78 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 83' ' ' GLN . 18.4 ptp180 -69.42 -34.2 74.1 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.3 -175.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.92 -55.34 35.34 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.08 0.466 . . . . 0.0 110.552 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -61.66 -42.2 98.59 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.003 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.53 ' OE1' ' HA ' ' A' ' 89' ' ' GLU . 1.6 tp10 -70.19 -37.1 75.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.628 -176.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.602 ' HA ' ' HD2' ' A' ' 93' ' ' PHE . 53.3 mt -62.16 -35.46 78.87 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 175.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.41 -30.03 70.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.911 176.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 89' ' ' GLU . 34.6 tt0 -70.57 -49.38 48.53 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.849 173.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.662 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 82.3 m-85 -58.25 -41.42 84.17 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.943 0.401 . . . . 0.0 111.429 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -74.56 -8.03 55.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.728 -176.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.96 2.08 37.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.86 0.362 . . . . 0.0 111.235 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.87 81.85 1.55 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.497 -0.858 . . . . 0.0 111.392 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.662 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 34.0 t80 -75.22 130.48 39.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.609 0.243 . . . . 0.0 110.977 -174.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.3 tp -69.71 98.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.092 0.473 . . . . 0.0 110.261 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.594 ' SG ' ' HD2' ' A' ' 100' ' ' PRO . 35.9 t -128.19 144.94 53.59 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.578 -176.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.594 ' HD2' ' SG ' ' A' ' 99' ' ' CYS . 43.9 Cg_endo -71.1 134.03 24.34 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.952 1.768 . . . . 0.0 110.836 175.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -71.74 104.38 3.38 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.444 -0.502 . . . . 0.0 109.779 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.621 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 68.7 mt -64.68 -24.74 67.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.599 -177.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 p -80.88 -2.14 46.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.973 0.416 . . . . 0.0 111.408 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.512 ' HB3' ' HB3' ' A' ' 107' ' ' ASN . 14.0 t70 -95.83 123.45 39.42 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.854 176.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.47 -36.09 65.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.794 -173.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -68.55 -43.2 77.16 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.628 ' HB2' ' HB2' ' A' ' 125' ' ' ARG . 9.0 t30 -60.02 -45.34 93.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.686 175.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 40' ' ' PRO . 48.5 tpp -63.15 -35.13 79.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.671 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -67.62 -43.94 79.23 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.618 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -63.78 -35.52 80.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.925 0.393 . . . . 0.0 110.345 175.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.495 HD22 ' SD ' ' A' ' 108' ' ' MET . 8.8 tt -65.63 -45.55 82.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.361 177.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.5 ttp85 -60.9 -29.59 69.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.32 0.581 . . . . 0.0 111.083 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -106.69 21.48 17.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.579 -173.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.541 ' HZ3' ' HG2' ' A' ' 25' ' ' LYS . 61.2 t90 -69.42 143.25 53.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.688 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -130.51 -171.75 2.63 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.49 62.93 2.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.433 175.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.466 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 23.9 m -131.52 119.04 20.98 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.484 0.313 . . . . 0.0 110.246 -175.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -76.9 -33.43 57.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.079 0.466 . . . . 0.0 110.298 -177.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -70.81 -11.67 69.74 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.928 -0.654 . . . . 0.0 112.539 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 120' ' ' LEU . 2.6 tt -71.45 -22.37 61.84 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.496 HD13 HD12 ' A' ' 124' ' ' LEU . 4.2 mm? -65.64 -26.12 67.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.24 178.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -79.27 -15.0 58.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 80.4 p -99.7 1.96 43.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.451 . . . . 0.0 110.791 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.496 HD12 HD13 ' A' ' 121' ' ' LEU . 58.8 mt -98.05 149.54 22.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.693 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.628 ' HB2' ' HB2' ' A' ' 107' ' ' ASN . 64.2 mtt180 -85.64 74.68 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.63 0.729 . . . . 0.0 110.036 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.4 mt -88.99 125.3 34.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.161 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.464 HG13 HG13 ' A' ' 129' ' ' ILE . 32.8 pt -124.09 177.23 4.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.206 -179.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 -96.91 116.66 29.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.25 0.548 . . . . 0.0 109.863 176.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.525 HG22 ' O ' ' A' ' 130' ' ' ASN . 60.8 mt -122.07 134.07 66.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.427 -175.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.865 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 27.4 t-20 -71.9 152.97 42.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 172.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -47.85 -21.4 0.41 Allowed 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -173.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.472 ' HB2' ' HG3' ' A' ' 134' ' ' GLU . 31.8 mttp -95.4 5.29 52.03 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.112 -0.368 . . . . 0.0 111.871 -178.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 86.71 31.43 18.35 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.23 -175.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.865 ' HB2' ' HB3' ' A' ' 130' ' ' ASN . 50.6 mt-10 -96.92 143.79 27.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.614 0.245 . . . . 0.0 110.382 -176.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -77.14 120.45 22.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.449 -174.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.2 t -116.65 116.83 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.51 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 47.2 t -84.51 -73.52 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.741 0.305 . . . . 0.0 111.053 -177.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -172.46 78.77 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.124 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -141.53 29.38 2.26 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.686 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -123.53 -33.97 3.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.973 0.416 . . . . 0.0 110.937 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.301 -178.162 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.654 0.264 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -116.19 -27.25 6.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.364 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.514 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 1.2 mp0 -63.35 -47.06 83.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.908 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -90.3 125.11 35.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.085 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.747 ' HE2' ' HB3' ' A' ' 7' ' ' ALA . 84.1 tttt -97.05 145.98 25.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.866 0.365 . . . . 0.0 111.245 -170.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.0 mt -83.11 -36.18 12.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.563 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.747 ' HB3' ' HE2' ' A' ' 5' ' ' LYS . . . -72.33 127.48 32.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.436 177.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.58 162.7 28.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.788 -175.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -129.86 135.35 48.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.24 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -57.21 -43.31 82.67 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -84.9 105.52 15.74 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.5 mt -75.84 164.38 26.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.147 -173.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -99.46 3.75 45.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.188 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -134.34 96.46 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.413 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -162.96 133.27 4.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.647 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HB3' ' CD1' ' A' ' 118' ' ' PHE . 9.9 mptt 62.49 24.42 14.53 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.659 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HB2' ' OE2' ' A' ' 20' ' ' GLU . 25.2 mtp180 -96.03 160.42 14.46 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.6 t -61.96 -28.42 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.709 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.428 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 7.8 t-160 -60.67 -31.46 70.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.64 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.503 ' HG3' ' CZ ' ' A' ' 97' ' ' PHE . 2.3 mp0 -91.88 -52.31 4.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.627 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 mt -65.84 -26.59 67.73 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -169.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -25.15 65.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 111.051 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.666 HH12 ' HE2' ' A' ' 93' ' ' PHE . 4.5 ptm85 -72.64 -35.74 67.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.189 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.3 t -71.9 -40.63 68.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.81 -45.77 82.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.412 175.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.451 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 90.0 t80 -63.25 -54.03 43.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.649 178.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.562 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.8 mtt -54.68 -42.61 71.61 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -59.99 -55.17 37.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.213 -179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.6 -36.26 83.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.028 -175.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 26' ' ' PHE . 54.8 t -62.97 -42.95 98.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.393 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 27' ' ' MET . 80.2 t -66.67 -34.68 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.233 0.539 . . . . 0.0 110.601 178.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.745 HD21 ' HG3' ' A' ' 112' ' ' ARG . 34.9 m-80 -86.96 -9.23 56.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.906 -174.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.484 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 33.0 p -107.99 156.38 19.3 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 177.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -67.85 -3.63 10.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.51 -175.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.2 m -54.5 -46.71 73.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.069 177.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -140.75 20.27 2.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.77 0.319 . . . . 0.0 110.894 176.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 33' ' ' SER . 59.7 tttm -60.92 -22.68 64.61 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.062 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.13 -13.56 64.76 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.211 -0.518 . . . . 0.0 112.531 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -94.62 118.15 66.9 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.464 ' O ' HD13 ' A' ' 41' ' ' ILE . 32.2 Cg_exo -58.65 -63.7 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.138 1.892 . . . . 0.0 111.217 178.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 105' ' ' ALA . 29.6 mm -128.72 145.26 35.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 175.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.824 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 39.0 m-85 -82.38 -168.02 1.82 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.963 0.411 . . . . 0.0 111.144 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.892 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 18.6 t70 -146.67 170.3 17.24 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -179.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.519 ' O ' ' HB ' ' A' ' 47' ' ' THR . 12.6 m170 -61.71 -22.91 65.76 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.581 0.229 . . . . 0.0 111.309 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.29 73.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.846 0.355 . . . . 0.0 110.579 174.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.21 -24.65 60.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.581 ' O ' HG13 ' A' ' 51' ' ' ILE . 97.8 m -57.82 -57.16 14.0 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 169.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.617 HH11 ' HB3' ' A' ' 132' ' ' LYS . 34.6 ttp180 -50.85 -44.71 59.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.044 176.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -57.36 -47.99 80.2 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.228 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.451 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 11.1 m-30 -72.67 -36.56 67.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.655 -178.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.589 HG12 ' NH2' ' A' ' 23' ' ' ARG . 54.1 mt -66.62 -44.03 90.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.055 178.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -43.93 92.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.307 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 p -72.33 -34.74 68.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -65.27 -17.56 64.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.36 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 51' ' ' ILE . 63.5 mt -95.18 -26.14 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.184 0.516 . . . . 0.0 110.378 172.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -84.16 -6.07 59.34 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.157 -171.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.519 ' H ' ' HG3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -46.26 -43.36 15.54 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.899 0.381 . . . . 0.0 111.518 177.189 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.36 -6.36 39.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -175.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.28 -32.66 73.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 170.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.9 m -67.36 -36.77 82.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.113 174.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -66.08 -47.23 74.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.221 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.659 ' HG ' ' HE3' ' A' ' 66' ' ' LYS . 30.3 tp -62.24 -34.72 77.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.509 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.418 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 22.2 t70 -60.82 -39.78 90.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.725 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -66.94 -37.93 85.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.912 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.5 mt -65.26 -36.63 84.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.048 0.451 . . . . 0.0 110.51 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.659 ' HE3' ' HG ' ' A' ' 62' ' ' LEU . 95.5 mttt -65.23 -14.04 59.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.204 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 88.4 mttt -96.21 -0.9 49.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HB2' ' HD3' ' A' ' 75' ' ' PRO . 66.8 mttm -76.15 -16.54 59.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.757 0.313 . . . . 0.0 110.843 179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 66' ' ' LYS . 16.4 ptt85 -71.16 0.54 7.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.078 177.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -76.68 -9.5 58.71 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.325 0.584 . . . . 0.0 109.773 173.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.7 p -106.96 -176.92 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 169.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -81.77 -20.37 39.39 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.98 -176.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -108.05 109.45 61.97 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-O 120.857 0.361 . . . . 0.0 111.819 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -79.1 152.07 24.08 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.053 2.502 . . . . 0.0 111.123 172.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.524 ' HD3' ' HB2' ' A' ' 68' ' ' LYS . 71.9 Cg_endo -77.27 55.11 4.95 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.779 2.319 . . . . 0.0 112.439 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.2 t -47.94 -46.86 32.63 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.933 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -82.58 -51.57 7.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.893 0.377 . . . . 0.0 111.291 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.23 -27.27 68.55 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -172.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -62.49 -36.93 84.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.222 0.534 . . . . 0.0 110.301 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.2 t -69.99 -37.82 73.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.402 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.0 mt -65.13 -35.37 80.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.637 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.99 -46.65 89.88 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.67 -40.03 93.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.254 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -59.43 -32.95 70.67 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.526 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -63.17 -53.68 49.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.535 177.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -66.92 -33.79 76.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.971 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.23 -48.11 81.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.779 177.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -64.48 -49.97 69.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.856 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.57 ' O ' ' HD1' ' A' ' 93' ' ' PHE . 48.3 mt-10 -61.02 -38.83 87.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.16 -40.57 74.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.461 177.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -69.59 -35.02 74.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.662 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -68.46 -44.36 75.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.654 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.76 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 56.8 m-85 -66.48 -32.99 74.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.029 0.442 . . . . 0.0 110.676 177.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -68.95 -31.23 69.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.989 178.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.59 -3.48 34.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.669 -177.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.15 79.58 1.3 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.55 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.76 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 32.3 t80 -82.42 150.15 27.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 -177.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.7 tp -68.92 97.3 0.83 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.089 0.471 . . . . 0.0 110.138 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.432 ' HB3' HD12 ' A' ' 129' ' ' ILE . 36.2 t -128.53 141.95 43.2 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.056 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 99' ' ' CYS . 21.7 Cg_exo -64.71 149.57 89.53 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.329 2.019 . . . . 0.0 111.508 174.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -57.29 -37.15 71.97 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.202 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.824 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 13.5 tp 74.44 -28.44 0.19 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.062 173.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.892 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 5.5 p -96.09 -0.51 50.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.912 0.386 . . . . 0.0 111.421 178.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -88.79 122.8 32.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 174.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.515 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -71.81 -28.04 63.33 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -172.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -78.04 -39.29 42.43 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -60.8 -45.78 93.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.483 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -37.73 80.78 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.858 178.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.45 -51.57 62.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.477 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -64.73 -33.04 75.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.015 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.5 tt -61.6 -40.32 94.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.564 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.745 ' HG3' HD21 ' A' ' 32' ' ' ASN . 61.4 ttt180 -64.47 -34.49 78.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.289 0.566 . . . . 0.0 110.627 176.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -96.86 20.96 10.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.643 -173.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.648 ' HA ' HD13 ' A' ' 120' ' ' LEU . 29.9 t90 -72.55 91.38 1.41 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 174.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -66.49 -58.06 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.488 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.31 55.59 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.146 -1.025 . . . . 0.0 112.958 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.687 ' OG1' ' HB2' ' A' ' 120' ' ' LEU . 43.5 p -120.68 160.18 23.82 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.509 ' HA ' HD23 ' A' ' 121' ' ' LEU . 96.5 m-85 -88.05 -20.77 25.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.132 0.492 . . . . 0.0 109.931 173.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -76.53 -25.09 66.2 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.565 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.687 ' HB2' ' OG1' ' A' ' 117' ' ' THR . 1.7 tt -62.44 -25.67 68.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.338 0.59 . . . . 0.0 109.846 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.629 HD12 HD11 ' A' ' 126' ' ' LEU . 3.4 mm? -66.85 -16.2 64.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.899 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -84.03 -28.89 27.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.041 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 56.4 p -83.3 -20.06 35.11 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.248 0.546 . . . . 0.0 110.273 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.503 HD12 HD13 ' A' ' 121' ' ' LEU . 80.6 mt -79.64 136.2 36.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.667 174.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 52.5 ttt-85 -79.76 74.1 6.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.474 0.654 . . . . 0.0 109.262 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.629 HD11 HD12 ' A' ' 121' ' ' LEU . 86.8 mt -87.81 123.79 32.95 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.815 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.553 HD12 ' HG3' ' A' ' 135' ' ' GLN . 11.8 pt -119.62 -177.35 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.49 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.453 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 44.4 mtt180 -103.94 139.03 39.66 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.432 HD12 ' HB3' ' A' ' 99' ' ' CYS . 44.8 mt -134.1 128.21 52.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.309 -174.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.563 HD21 HG22 ' A' ' 136' ' ' VAL . 8.8 m-80 -89.25 105.52 17.85 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.948 176.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.582 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 35.8 t70 51.99 -83.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 166.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.617 ' HB3' HH11 ' A' ' 48' ' ' ARG . 55.9 mttp -85.78 37.57 0.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -171.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.431 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 68.94 32.72 73.69 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.433 178.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -94.85 118.81 32.39 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -178.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.553 ' HG3' HD12 ' A' ' 127' ' ' ILE . 53.3 tt0 -73.97 141.75 45.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.439 0.638 . . . . 0.0 112.08 -168.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.563 HG22 HD21 ' A' ' 130' ' ' ASN . 8.6 t -119.6 106.2 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.172 175.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 16.1 m -76.31 -41.84 36.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.159 0.504 . . . . 0.0 110.774 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 163.8 -29.34 0.24 Allowed Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.255 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 93.04 4.37 64.9 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.098 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -102.28 106.55 17.37 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.817 -178.1 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.809 ' HB2' ' HB3' ' A' ' 4' ' ' ASP . 73.7 mtm . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.431 ' HB2' ' OE1' ' A' ' 3' ' ' GLU . 24.1 mmt180 -65.51 -65.45 0.67 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.18 0.514 . . . . 0.0 110.272 -176.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.431 ' OE1' ' HB2' ' A' ' 2' ' ' ARG . 4.0 mp0 -80.72 -25.26 38.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.252 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.809 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 27.3 t70 -88.01 92.51 9.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.07 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -108.23 152.46 24.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.584 -177.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.562 ' HA ' ' HD2' ' A' ' 9' ' ' LYS . 59.9 mt -67.96 -24.38 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.976 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.48 97.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.236 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.93 -12.11 61.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.562 ' HD2' ' HA ' ' A' ' 6' ' ' ILE . 95.0 mttt -86.22 -5.33 59.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.3 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.9 mttt 63.61 15.72 9.12 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 164.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -84.57 14.14 4.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.976 0.417 . . . . 0.0 111.045 176.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.7 mt -84.83 -17.01 39.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.085 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -112.14 126.3 55.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.473 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -93.46 122.51 35.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.74 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -87.19 -3.9 59.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.572 -174.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -97.92 126.84 43.51 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -87.24 136.4 32.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.934 0.397 . . . . 0.0 110.606 -177.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.56 -33.53 60.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.709 -176.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.421 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 10.6 m170 -74.49 -7.66 53.76 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.339 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -83.86 -44.31 14.44 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 168.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.98 -42.84 94.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.941 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.7 -30.13 63.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.784 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 19' ' ' HIS . 62.3 mtt85 -66.03 -36.21 82.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.769 0.319 . . . . 0.0 110.395 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.9 t -69.92 -41.81 79.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.107 175.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 59.2 tttm -67.71 -31.8 72.0 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -62.75 -43.23 99.33 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.526 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.7 mtt -61.72 -45.47 93.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.76 174.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -54.6 -56.96 13.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.928 176.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.71 -45.7 85.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.689 -178.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 27' ' ' MET . 5.3 p -68.47 -28.64 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.432 -176.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 27' ' ' MET . 75.9 t -77.96 -36.92 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.204 0.526 . . . . 0.0 110.376 176.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -81.79 -17.5 47.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.937 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.534 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 30.2 t -93.8 155.54 17.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.792 177.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.34 -5.43 7.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.756 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.3 m -56.8 -50.97 70.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.719 0.295 . . . . 0.0 110.841 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -135.7 24.28 3.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.283 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 33' ' ' SER . 37.0 ttpt -70.02 -1.93 11.23 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.047 0.451 . . . . 0.0 111.139 178.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.41 -56.17 16.87 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.498 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -116.56 108.8 44.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 177.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.78 -18.37 41.84 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.864 2.376 . . . . 0.0 112.764 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 105' ' ' ALA . 17.2 mm -114.51 139.89 38.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.671 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 94.1 m-85 -119.7 -162.47 0.92 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.599 0.238 . . . . 0.0 110.778 -178.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -132.34 -175.84 3.88 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.617 ' O ' ' HB ' ' A' ' 47' ' ' THR . 32.2 m170 -76.93 -20.24 56.41 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -173.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.13 -40.85 62.37 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.002 0.429 . . . . 0.0 109.879 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.464 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 36.5 m80 -66.76 -25.15 66.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.103 174.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.617 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 75.2 m -56.68 -61.88 2.12 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.094 170.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.574 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 36.0 ttp85 -53.1 -47.04 68.91 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.407 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 27.7 mt-10 -54.33 -51.6 64.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.779 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.31 -35.65 71.34 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 47' ' ' THR . 67.2 mt -59.16 -51.5 71.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.956 0.407 . . . . 0.0 110.06 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -63.02 -38.24 90.38 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.384 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.7 m -57.78 -42.18 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.733 0.301 . . . . 0.0 111.214 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -72.06 -41.79 67.01 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.384 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.511 HG21 HD21 ' A' ' 90' ' ' LEU . 62.5 mt -67.24 -31.3 52.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.161 0.505 . . . . 0.0 110.4 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -65.06 -39.67 93.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.404 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -74.22 -3.15 28.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.557 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -66.11 -24.76 66.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.777 0.799 . . . . 0.0 109.237 174.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.09 -22.32 66.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.069 177.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.9 m -66.34 -38.67 88.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.787 0.327 . . . . 0.0 111.169 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.82 -39.42 64.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.498 0.666 . . . . 0.0 109.451 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 53.5 tp -62.6 -32.13 73.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.321 176.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.545 ' HA ' ' CD ' ' A' ' 66' ' ' LYS . 4.1 t70 -67.59 -27.51 66.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.639 -179.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -71.05 -35.69 72.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.167 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.46 -25.59 61.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.309 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.545 ' CD ' ' HA ' ' A' ' 63' ' ' ASP . 82.4 mttt -64.75 -41.77 95.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.547 176.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 55.8 mttp -71.43 -24.23 61.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.47 -174.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -80.04 8.4 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.113 0.482 . . . . 0.0 111.053 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.806 ' HA ' ' HB3' ' A' ' 74' ' ' PRO . 63.5 ttt180 -82.09 -4.18 56.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.225 177.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -82.16 34.72 0.42 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.673 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.8 p -133.23 179.48 6.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.053 -177.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.502 ' OD1' ' HG2' ' A' ' 73' ' ' ARG . 33.2 p30 -83.94 -7.82 59.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.168 0.509 . . . . 0.0 109.92 178.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.502 ' HG2' ' OD1' ' A' ' 72' ' ' ASN . 31.8 ptt180 -150.07 86.28 5.29 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.504 178.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.806 ' HB3' ' HA ' ' A' ' 69' ' ' ARG . 33.0 Cg_endo -64.27 161.54 33.82 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.492 2.128 . . . . 0.0 111.595 176.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.61 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 32.9 Cg_endo -70.15 57.89 1.69 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.697 2.264 . . . . 0.0 113.02 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.0 p -50.48 -49.54 55.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.917 0.389 . . . . 0.0 110.724 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -60.48 -40.59 91.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.328 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.61 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 43.1 mtt-85 -80.91 -36.25 31.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.218 -172.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.05 -39.95 94.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.439 0.637 . . . . 0.0 109.418 175.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.456 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 70.4 t -72.33 -42.87 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.267 178.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.4 tp -56.99 -37.24 71.37 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.398 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.19 -52.49 65.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.671 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -67.88 -30.72 70.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.906 -178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 86.3 mt-30 -60.27 -50.81 72.17 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.89 -0.141 . . . . 0.0 111.248 178.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.2 ptt85 -71.03 -34.85 71.69 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.516 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -60.59 -42.62 97.08 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.982 0.42 . . . . 0.0 109.996 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.13 -37.93 89.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.354 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -63.57 -48.57 76.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.673 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -63.09 -37.98 89.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 55' ' ' ILE . 91.2 mt -68.81 -35.46 77.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.896 175.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -59.71 -49.58 77.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -62.85 -37.24 86.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.624 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.954 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 73.1 t80 -60.69 -47.25 87.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 176.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -69.61 -21.0 63.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -97.83 11.16 38.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.576 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.36 87.78 1.34 Allowed Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.954 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 27.9 t80 -74.51 152.03 39.43 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -176.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.46 ' HG ' ' HB3' ' A' ' 126' ' ' LEU . 23.8 tp -76.38 94.56 3.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.99 0.424 . . . . 0.0 110.137 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.801 ' HB2' HD12 ' A' ' 129' ' ' ILE . 83.4 m -128.12 157.03 75.42 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.663 -178.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -70.57 146.19 54.52 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.445 2.096 . . . . 0.0 111.467 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.25 -36.68 68.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.18 177.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.671 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 18.7 tp 75.41 -16.31 0.59 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.497 0.719 . . . . 0.0 112.537 172.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.1 p -108.15 0.71 21.73 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.127 -0.358 . . . . 0.0 111.531 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.659 ' O ' ' HG2' ' A' ' 108' ' ' MET . 11.9 t70 -96.89 124.31 40.83 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.48 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -67.72 -33.43 74.88 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -173.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.536 ' HA ' ' HG3' ' A' ' 109' ' ' GLU . 44.0 tttp -75.44 -36.53 60.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.424 0.631 . . . . 0.0 109.969 -178.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -57.84 -38.59 75.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.232 171.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.659 ' HG2' ' O ' ' A' ' 104' ' ' ASP . 90.9 mmm -73.96 -21.03 60.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.12 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.536 ' HG3' ' HA ' ' A' ' 106' ' ' LYS . 40.0 mt-10 -61.27 -54.64 41.45 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 173.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.444 ' HB2' HD23 ' A' ' 124' ' ' LEU . 42.6 m-85 -64.13 -34.87 79.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.267 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.47 -45.54 79.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.765 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.7 ttt85 -71.59 -31.48 66.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.503 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -102.7 21.67 15.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.185 -176.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.481 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 12.9 t90 -72.26 111.33 7.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.25 0.548 . . . . 0.0 110.187 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -96.48 23.4 6.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.107 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 77.52 36.31 34.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.069 -175.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.561 ' HB ' ' HG ' ' A' ' 120' ' ' LEU . 5.2 m -96.24 114.44 26.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.277 -0.462 . . . . 0.0 110.228 -177.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.509 ' HA ' HD23 ' A' ' 121' ' ' LEU . 86.0 m-85 -63.61 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.868 -178.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -67.23 -18.41 69.25 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.796 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.561 ' HG ' ' HB ' ' A' ' 117' ' ' THR . 50.5 mt -78.73 -9.85 59.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.682 0.277 . . . . 0.0 111.167 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 118' ' ' PHE . 3.9 mm? -78.86 3.6 16.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.942 0.401 . . . . 0.0 110.854 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -119.99 -13.89 8.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.395 174.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 41.4 p -91.24 -32.81 15.62 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.194 177.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 110' ' ' PHE . 19.5 mt -59.38 141.26 54.99 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.474 174.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -79.15 76.81 5.66 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.924 0.869 . . . . 0.0 109.43 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.46 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . 54.9 mt -94.89 111.53 23.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.278 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 24.6 pt -106.46 -173.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.186 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.583 ' HB2' ' HB ' ' A' ' 136' ' ' VAL . 25.9 mmm-85 -96.58 111.94 23.88 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 176.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.801 HD12 ' HB2' ' A' ' 99' ' ' CYS . 34.7 mt -110.6 119.87 60.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.32 0.581 . . . . 0.0 111.832 -175.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -100.39 117.56 34.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.604 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 93' ' ' PHE . 2.7 m-20 56.14 -89.7 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 172.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.574 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 50.2 pttt -98.91 33.5 2.32 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -167.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.544 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 86.54 18.72 58.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.015 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -80.89 133.64 35.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.741 0.305 . . . . 0.0 110.461 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -81.42 113.83 19.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.105 0.479 . . . . 0.0 110.85 -177.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.583 ' HB ' ' HB2' ' A' ' 128' ' ' ARG . 21.4 t -83.93 99.63 6.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.434 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.9 m -82.03 161.4 3.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.013 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.29 -27.47 69.29 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.756 -177.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -76.19 -9.74 85.52 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.304 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 54.51 78.86 0.15 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.477 0.656 . . . . 0.0 111.002 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.458 -0.782 . . . . 0.0 110.455 -177.303 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtm . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.743 0.306 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -107.19 -24.11 12.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.322 175.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -56.81 -41.17 77.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.517 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.26 97.84 8.48 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 170.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -73.2 136.95 44.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.65 -172.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.4 mt -92.94 132.92 35.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.754 176.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.45 -35.24 63.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.944 0.402 . . . . 0.0 110.856 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.54 122.77 22.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.214 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.422 ' HB2' HD23 ' A' ' 12' ' ' LEU . 72.8 mmtt -99.21 141.54 31.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.011 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -80.78 -1.52 43.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.281 0.562 . . . . 0.0 110.486 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 34.3 mmtm -138.97 92.94 2.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.357 171.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.422 HD23 ' HB2' ' A' ' 9' ' ' LYS . 96.6 mt -84.09 177.52 8.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.61 -178.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -80.11 87.27 5.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.209 0.528 . . . . 0.0 110.374 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -92.76 110.47 21.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.22 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.511 ' OD2' ' HG3' ' A' ' 17' ' ' ARG . 4.9 p-10 -137.9 -148.99 0.29 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.75 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 16' ' ' LYS . 40.8 mtmt -56.13 -27.63 54.81 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.415 0.686 . . . . 0.0 112.261 -173.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.511 ' HG3' ' OD2' ' A' ' 15' ' ' ASP . 17.6 mtt180 -51.57 -29.09 15.94 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.616 0.573 . . . . 0.0 112.23 -174.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.554 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 60.1 t -68.84 -30.85 48.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.136 0.493 . . . . 0.0 111.115 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -92.07 3.93 54.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.931 0.396 . . . . 0.0 110.357 176.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -110.5 -70.35 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.773 0.32 . . . . 0.0 111.184 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.449 ' HG ' HD11 ' A' ' 121' ' ' LEU . 7.0 mp -77.26 -33.73 55.86 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -172.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -63.9 -19.27 64.97 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.449 HH22 ' CD ' ' A' ' 89' ' ' GLU . 42.2 mtt-85 -66.84 -41.21 87.76 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.05 0.453 . . . . 0.0 109.804 177.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.9 t -68.24 -36.87 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.835 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -63.95 -43.16 96.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.238 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.437 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 84.1 t80 -59.37 -46.31 89.01 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.455 177.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.563 ' O ' HG23 ' A' ' 31' ' ' VAL . 65.0 mtt -54.82 -52.52 62.45 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 175.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -55.55 -47.07 76.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.24 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.13 -51.63 68.89 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 178.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 26' ' ' PHE . 95.3 t -59.86 -44.76 94.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -178.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 27' ' ' MET . 63.8 t -63.9 -36.95 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.208 0.527 . . . . 0.0 111.146 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -99.18 6.15 46.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.642 -175.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.53 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 47.1 t -110.9 150.54 29.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 175.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -69.65 -3.38 14.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.074 0.464 . . . . 0.0 110.474 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.1 m -47.92 -51.42 23.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.547 173.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -142.52 28.8 1.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.521 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 33' ' ' SER . 49.1 tttm -62.6 -14.26 40.83 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.513 -176.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.73 -23.2 73.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.914 174.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -116.27 100.99 53.91 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -62.8 -30.54 77.92 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.748 2.299 . . . . 0.0 112.727 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.562 HD11 ' HA ' ' A' ' 105' ' ' ALA . 59.0 mt -136.67 138.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.865 0.364 . . . . 0.0 110.473 -178.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -105.65 153.17 22.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.498 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.7 -178.55 7.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.099 0.476 . . . . 0.0 111.036 -176.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.697 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 31.5 m170 -71.83 -25.82 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.806 -175.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.04 -40.83 78.36 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 175.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -71.36 -21.81 61.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.68 175.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.641 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 37.8 m -56.98 -57.96 10.26 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 168.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.554 ' HB2' ' HA ' ' A' ' 132' ' ' LYS . 3.3 ttp180 -51.64 -45.59 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.619 175.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -59.47 -50.57 73.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.369 -177.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.437 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 9.3 m-85 -73.15 -37.48 66.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.605 -178.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.06 -46.44 94.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.983 0.42 . . . . 0.0 109.948 176.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -64.44 -39.86 94.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.916 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -66.31 -33.81 76.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' A' ' 57' ' ' ARG . 53.0 t80 -66.32 -38.28 87.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.92 0.391 . . . . 0.0 110.043 177.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.2 mt -70.52 -29.97 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.653 0.739 . . . . 0.0 109.808 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -73.65 -16.02 61.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.547 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 54' ' ' PHE . 19.1 ttm180 -61.8 -33.8 74.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.35 173.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.58 -22.25 66.79 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.391 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.26 -24.64 67.96 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.455 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.2 m -62.15 -44.4 96.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.076 0.465 . . . . 0.0 110.767 -178.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.52 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 53.6 mt-10 -69.53 -32.27 70.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.214 178.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.2 tp -67.99 -39.44 83.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.712 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.555 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 32.1 t70 -66.95 -36.91 83.27 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 5.4 mm-40 -59.88 -38.9 83.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 174.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.619 ' HB3' ' HG2' ' A' ' 75' ' ' PRO . 95.6 mt -62.63 -44.77 95.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.144 0.497 . . . . 0.0 110.097 175.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 63' ' ' ASP . 53.4 mttm -62.37 -31.37 72.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.009 177.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -80.42 -36.46 33.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.239 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 64' ' ' GLU . 66.0 mttm -69.58 -19.45 63.67 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.485 0.659 . . . . 0.0 110.187 176.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.53 ' HB3' ' O ' ' A' ' 66' ' ' LYS . 22.2 ttp180 -58.48 -32.24 68.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.787 175.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -63.59 -34.62 78.22 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.011 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.417 ' O ' ' HB2' ' A' ' 72' ' ' ASN . 3.1 p -84.32 23.86 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.321 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.446 ' O ' ' HD2' ' A' ' 73' ' ' ARG . 92.4 m-20 75.69 15.64 2.59 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.436 172.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' A' ' 72' ' ' ASN . 7.1 mmm180 -120.91 83.49 37.19 Favored Pre-proline 0 C--N 1.326 -0.448 0 C-N-CA 120.414 -0.515 . . . . 0.0 111.026 177.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.44 115.56 3.44 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.596 2.197 . . . . 0.0 111.152 174.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.619 ' HG2' ' HB3' ' A' ' 65' ' ' LEU . 5.8 Cg_exo -75.29 60.11 5.56 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 123.089 2.526 . . . . 0.0 112.07 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.3 p -46.84 -54.05 10.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.119 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -73.46 -41.76 62.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.051 0.453 . . . . 0.0 111.202 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 78' ' ' ARG . 0.8 OUTLIER -69.39 -27.1 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.656 -172.208 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -70.2 -24.35 63.1 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.98 0.419 . . . . 0.0 109.973 174.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.7 t -71.5 -40.05 71.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.786 176.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.64 -34.86 78.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.229 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.624 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.6 OUTLIER -63.54 -44.77 93.25 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 174.576 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -55.97 -47.47 77.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.768 176.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -56.91 -41.51 78.28 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.316 0.385 . . . . 0.0 111.234 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.624 ' HD3' ' HA ' ' A' ' 82' ' ' LEU . 39.2 mtp180 -53.59 -54.06 42.9 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.622 178.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -70.98 -38.39 72.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.248 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -59.25 -43.88 92.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.912 -176.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -68.25 -41.42 81.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.567 177.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 25.6 mm-40 -50.51 -57.47 8.03 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.243 0.544 . . . . 0.0 111.339 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.38 -39.24 93.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.155 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -70.09 -42.79 72.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.929 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.71 -38.11 86.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.026 -178.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.798 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 38.8 t80 -71.24 -36.62 71.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.98 -179.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.431 ' HA ' ' OD1' ' A' ' 130' ' ' ASN . 22.2 mttp -76.8 -5.48 48.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 111.526 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.62 8.47 35.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.143 0.497 . . . . 0.0 110.196 175.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.41 82.63 1.38 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.66 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.798 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 65.7 t80 -84.83 145.47 27.82 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.422 ' HG ' HD23 ' A' ' 126' ' ' LEU . 28.9 tp -70.03 101.5 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.503 -178.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.758 ' HB2' HD12 ' A' ' 129' ' ' ILE . 34.4 m -128.26 147.03 61.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.088 -178.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -70.15 137.09 33.53 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 121.967 1.778 . . . . 0.0 111.375 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -66.32 102.19 0.83 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.089 0.471 . . . . 0.0 110.958 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.418 HD21 ' SD ' ' A' ' 27' ' ' MET . 80.0 mt -79.87 90.41 5.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.727 175.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.3 t -178.13 -47.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.253 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -69.19 133.82 48.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.637 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.562 ' HA ' HD11 ' A' ' 41' ' ' ILE . . . -74.17 -39.05 63.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.108 -175.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -66.62 -37.53 85.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -63.62 -40.65 97.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.122 176.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.536 ' SD ' HG21 ' A' ' 31' ' ' VAL . 42.7 tpp -67.87 -44.15 77.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.376 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 112' ' ' ARG . 42.3 tt0 -67.51 -35.34 78.93 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.278 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -33.53 72.05 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 176.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.418 HD22 ' SD ' ' A' ' 108' ' ' MET . 5.1 tt -64.47 -32.84 74.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.982 174.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.457 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 36.0 ttt180 -66.82 -33.98 76.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.579 174.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -88.83 8.68 27.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.479 ' HD1' HD22 ' A' ' 120' ' ' LEU . 66.0 t90 -71.0 131.77 44.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.102 0.477 . . . . 0.0 111.335 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -112.8 -178.09 3.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.404 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.54 64.66 2.52 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.66 175.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.5 m -135.66 123.02 21.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.598 0.237 . . . . 0.0 110.622 -177.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -64.4 -33.44 75.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.349 -178.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.44 -22.52 69.57 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.092 -0.575 . . . . 0.0 113.04 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.479 HD22 ' HD1' ' A' ' 114' ' ' TRP . 1.2 tt -74.53 -14.04 60.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.567 0.699 . . . . 0.0 109.905 -178.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.449 HD11 ' HG ' ' A' ' 21' ' ' LEU . 96.7 mt -78.68 -7.57 57.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.332 178.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -98.27 -21.22 16.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.928 176.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 68.6 p -87.4 -29.04 21.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.982 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.5 mt -73.66 155.88 38.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.587 172.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -87.36 81.28 7.92 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.976 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.422 HD23 ' HG ' ' A' ' 98' ' ' LEU . 9.3 mp -94.76 122.9 37.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.147 175.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 22.0 pt -123.21 179.05 2.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.354 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -96.63 113.5 25.07 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.346 0.593 . . . . 0.0 109.858 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.758 HD12 ' HB2' ' A' ' 99' ' ' CYS . 54.4 mt -111.22 135.95 48.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.242 -172.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.431 ' OD1' ' HA ' ' A' ' 94' ' ' LYS . 44.0 t30 -118.36 125.44 50.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.972 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 55.48 -102.28 0.15 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.088 -0.96 . . . . 0.0 113.401 176.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.554 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 25.8 pttm -86.12 40.18 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -167.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.697 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 72.1 29.31 66.91 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.067 -1.063 . . . . 0.0 111.64 -179.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -86.02 125.44 33.42 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -74.49 120.76 20.49 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 23.7 t -82.83 97.28 4.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.748 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.2 m -63.25 130.33 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.114 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.65 -78.4 1.95 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.62 -175.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.36 -1.73 69.72 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 121.31 -0.471 . . . . 0.0 112.488 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -171.92 173.22 4.52 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.211 -0.9 . . . . 0.0 109.36 174.821 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.1 mtp . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 2' ' ' ARG . 35.7 mtm105 -139.53 -26.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.952 0.406 . . . . 0.0 110.84 178.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -94.67 139.64 30.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.709 -173.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -89.55 12.0 17.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.033 -176.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -79.04 95.9 5.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.311 0.577 . . . . 0.0 111.334 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.632 HG12 ' H ' ' A' ' 8' ' ' ALA . 14.5 tt -94.04 143.85 10.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.045 177.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.88 -22.98 25.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.841 0.353 . . . . 0.0 111.241 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.632 ' H ' HG12 ' A' ' 6' ' ' ILE . . . -78.28 146.83 34.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.406 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -88.21 163.55 16.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.472 -177.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -105.86 171.58 7.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.938 0.399 . . . . 0.0 110.944 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -90.2 0.45 57.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.174 -170.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.3 tp -114.73 122.74 47.34 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -102.33 141.2 35.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.797 0.332 . . . . 0.0 110.364 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -129.74 166.41 19.91 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.548 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 57.42 47.73 15.93 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.674 0.609 . . . . 0.0 111.1 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -118.03 113.13 21.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.794 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -98.66 121.62 40.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.309 -0.405 . . . . 0.0 112.006 -174.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.525 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 33.3 m -82.94 -19.08 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.299 0.571 . . . . 0.0 109.796 171.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.412 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . 17.4 t-80 -72.81 -5.33 37.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.039 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.637 ' HB3' HD22 ' A' ' 21' ' ' LEU . 25.9 tt0 -115.8 -71.0 0.76 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.052 -174.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.637 HD22 ' HB3' ' A' ' 20' ' ' GLU . 1.9 mm? -89.15 -14.6 35.75 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -170.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -66.6 -23.41 66.18 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.514 -0.475 . . . . 0.0 111.442 -176.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' HD3' HH11 ' A' ' 23' ' ' ARG . 13.3 mtm180 -68.13 -33.54 74.68 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.883 176.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.0 t -67.63 -40.21 83.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.696 ' HB2' ' HZ3' ' A' ' 114' ' ' TRP . 55.4 tttm -71.21 -32.21 68.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.388 177.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -63.91 -47.17 81.61 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.429 ' O ' HG23 ' A' ' 31' ' ' VAL . 62.0 mtt -56.74 -49.03 76.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.567 174.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -52.13 -56.37 14.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.735 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -56.32 -53.95 51.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.313 -177.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.623 HG12 ' HB2' ' A' ' 36' ' ' PHE . 94.6 t -69.35 -34.3 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -173.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 27' ' ' MET . 95.9 t -80.56 -28.04 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.012 0.434 . . . . 0.0 110.822 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -84.15 -28.84 27.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.95 0.405 . . . . 0.0 110.383 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.535 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 67.9 p -89.56 157.76 17.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.675 ' HA ' ' HB3' ' A' ' 37' ' ' LYS . 8.3 m-20 -66.9 1.95 1.66 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -174.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.5 m -55.57 -53.7 53.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.719 0.295 . . . . 0.0 110.696 175.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.623 ' HB2' HG12 ' A' ' 30' ' ' VAL . 13.2 m-85 -127.38 9.88 6.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.884 0.374 . . . . 0.0 110.862 175.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.675 ' HB3' ' HA ' ' A' ' 34' ' ' ASP . 60.2 tttm -67.18 -13.83 62.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.542 177.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.06 -18.58 69.11 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.003 -0.618 . . . . 0.0 111.981 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -100.61 131.57 23.53 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -62.54 -68.37 0.04 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.292 1.995 . . . . 0.0 111.668 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 105' ' ' ALA . 47.1 mm -125.63 152.24 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.687 ' HB2' ' HB3' ' A' ' 102' ' ' LEU . 72.5 m-85 -103.02 -173.07 2.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.413 0.625 . . . . 0.0 111.907 -172.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -130.31 178.98 6.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.714 -176.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.582 ' O ' ' HB ' ' A' ' 47' ' ' THR . 64.4 m170 -81.77 -10.41 59.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.319 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.94 -40.61 62.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.24 0.543 . . . . 0.0 110.207 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -70.45 -19.85 62.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.953 173.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.582 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 94.9 m -62.05 -64.67 0.86 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.166 172.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.733 ' HD3' ' HB3' ' A' ' 132' ' ' LYS . 31.8 ptt85 -53.98 -40.27 66.75 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.751 0.31 . . . . 0.0 110.961 -178.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -63.12 -55.92 21.18 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.666 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -66.43 -36.72 83.5 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 47' ' ' THR . 43.6 mm -62.08 -51.9 66.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -62.11 -36.91 83.19 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.596 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -57.98 -38.44 76.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.984 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.412 ' CE2' ' HA ' ' A' ' 19' ' ' HIS . 64.5 t80 -75.67 -33.79 60.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.739 0.304 . . . . 0.0 110.285 178.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 51' ' ' ILE . 72.6 mt -60.45 -42.58 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.111 0.481 . . . . 0.0 110.364 177.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.23 -30.13 64.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.4 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -62.25 -33.87 75.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.684 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -67.56 -46.83 71.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.209 177.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 32.7 t70 -69.41 -6.77 32.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.676 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.8 m -73.43 -26.58 61.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.875 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -71.35 -24.72 62.15 Favored 'General case' 0 C--N 1.335 -0.057 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.136 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 0.6 OUTLIER -56.46 -45.84 80.68 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.043 174.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -55.65 -46.32 77.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.194 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 39.4 mt-10 -67.51 -34.89 78.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.122 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.15 -39.11 92.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.986 0.422 . . . . 0.0 110.297 175.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 89.5 mttt -68.56 -30.74 69.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.721 177.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -73.21 -30.94 63.87 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.31 -174.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 64' ' ' GLU . 79.3 mttt -92.63 6.58 46.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.509 -173.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.514 ' HG2' ' HA ' ' A' ' 74' ' ' PRO . 55.9 mtm180 -69.37 -15.11 63.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.166 -179.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.3 mtm-85 -56.0 -49.83 72.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.065 0.46 . . . . 0.0 111.387 -176.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.3 m -116.85 -34.4 4.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.585 -176.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 73' ' ' ARG . 10.6 m120 -87.85 -3.85 58.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.166 -173.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.462 ' HB2' ' O ' ' A' ' 72' ' ' ASN . 92.4 mtt180 69.41 159.16 0.15 Allowed Pre-proline 0 N--CA 1.465 0.293 0 O-C-N 123.893 0.745 . . . . 0.0 111.142 -177.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.514 ' HA ' ' HG2' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -60.74 123.8 13.71 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.125 1.883 . . . . 0.0 110.979 173.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 74' ' ' PRO . 3.0 Cg_exo -74.48 80.87 2.18 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.512 2.141 . . . . 0.0 111.534 179.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.4 m -48.97 -37.42 20.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.816 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -74.37 -62.67 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -73.54 -24.34 60.11 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -170.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -66.6 -51.58 54.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.109 0.481 . . . . 0.0 109.749 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.506 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 65.9 t -64.57 -40.71 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.849 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 57.5 tp -58.71 -43.98 90.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 177.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -51.97 67.5 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -56.82 -42.48 79.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.72 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 27.8 mt-30 -62.38 -29.52 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.74 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 81' ' ' LEU . 34.2 mtm180 -64.94 -42.04 95.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.227 0.537 . . . . 0.0 109.764 177.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.8 ttp85 -73.6 -41.85 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.568 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -44.8 95.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.365 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -63.94 -42.64 97.27 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.707 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -67.26 -37.36 83.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.1 mt -67.77 -25.59 65.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.768 0.318 . . . . 0.0 111.094 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -70.05 -45.7 66.55 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -71.81 -32.65 67.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.287 176.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -53.31 -39.78 64.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.313 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -69.91 -39.73 76.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.656 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -99.35 3.4 45.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -173.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.497 ' HA2' ' HA ' ' A' ' 130' ' ' ASN . . . 106.27 108.83 3.34 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.937 -178.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -97.08 145.08 26.33 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 -176.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.2 tp -69.77 103.82 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.648 ' HB2' HD12 ' A' ' 129' ' ' ILE . 42.6 m -128.15 147.35 63.08 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.204 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.48 138.08 29.12 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 121.975 1.783 . . . . 0.0 111.247 175.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -74.43 104.59 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.031 0.443 . . . . 0.0 110.589 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.687 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 35.4 mt -71.18 -10.98 60.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.778 -177.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 p -93.96 20.79 7.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.918 0.39 . . . . 0.0 111.115 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.568 ' O ' ' HG2' ' A' ' 108' ' ' MET . 25.1 t70 -127.44 115.49 18.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.147 174.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.42 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -59.54 -39.35 83.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.389 -175.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.434 ' O ' ' HD1' ' A' ' 110' ' ' PHE . 73.9 tttt -68.07 -39.56 82.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.341 -177.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -58.9 -41.4 87.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.096 0.474 . . . . 0.0 110.129 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.568 ' HG2' ' O ' ' A' ' 104' ' ' ASP . 90.4 mmm -66.46 -35.16 79.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.831 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -59.05 -49.59 77.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.763 176.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.434 ' HD1' ' O ' ' A' ' 106' ' ' LYS . 35.8 m-85 -62.91 -42.95 99.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.462 177.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.8 -40.38 95.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.029 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -76.43 -9.02 58.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.759 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -121.44 19.37 11.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.892 0.377 . . . . 0.0 110.666 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.696 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 15.8 t90 -66.46 117.8 9.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.197 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -90.06 8.31 33.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.266 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 90.28 11.32 62.94 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.468 -176.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.411 ' HB ' ' HB2' ' A' ' 120' ' ' LEU . 13.3 m -79.44 127.12 31.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.364 -0.418 . . . . 0.0 110.924 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -74.82 -26.24 59.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.91 0.386 . . . . 0.0 110.654 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -68.17 -29.82 73.49 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.837 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 120' ' ' LEU . 4.2 tt -65.29 -18.69 65.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.094 0.473 . . . . 0.0 110.252 -178.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.452 ' HA ' HD12 ' A' ' 124' ' ' LEU . 83.9 mt -64.79 -25.28 67.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.876 0.37 . . . . 0.0 110.49 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -78.68 -12.99 60.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.199 0.523 . . . . 0.0 110.458 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 69.8 p -104.36 9.06 35.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.361 0.601 . . . . 0.0 110.164 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 121' ' ' LEU . 68.8 mt -104.86 151.83 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.064 177.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -88.89 74.36 8.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.44 0.638 . . . . 0.0 109.742 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.9 mt -86.67 105.89 17.23 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.762 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 40.6 pt -108.86 178.26 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.601 -176.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.591 ' HG2' HG21 ' A' ' 136' ' ' VAL . 40.4 ttt180 -101.01 111.74 24.02 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.648 HD12 ' HB2' ' A' ' 99' ' ' CYS . 54.6 mt -104.42 122.62 57.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.031 0.444 . . . . 0.0 110.804 -177.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.557 ' HB2' HG22 ' A' ' 136' ' ' VAL . 59.7 t30 -82.62 132.19 35.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.357 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.2 t70 51.38 -91.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 O-C-N 124.443 1.089 . . . . 0.0 112.259 171.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.733 ' HB3' ' HD3' ' A' ' 48' ' ' ARG . 99.4 mttt -132.42 83.24 2.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.114 0.483 . . . . 0.0 111.051 -174.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 70.19 37.16 71.88 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.989 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -114.23 157.25 22.95 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.675 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -94.7 122.6 37.47 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.848 -174.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.591 HG21 ' HG2' ' A' ' 128' ' ' ARG . 91.8 t -85.56 111.03 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.033 0.444 . . . . 0.0 110.368 176.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.4 m -96.7 171.03 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.906 176.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -76.88 43.17 1.9 Allowed Glycine 0 CA--C 1.518 0.271 0 C-N-CA 121.247 -0.502 . . . . 0.0 112.89 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -174.87 37.45 0.11 Allowed Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -134.48 106.4 7.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.07 179.233 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mmm . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 2' ' ' ARG . 19.5 ttt180 -68.0 -42.05 81.32 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 172.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -83.76 111.7 19.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.434 167.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.2 t0 67.27 108.71 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.785 0.678 . . . . 0.0 110.847 -176.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.9 mttp -72.87 -35.87 67.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.766 -174.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.4 mt -86.48 51.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.932 0.873 . . . . 0.0 110.644 -173.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -161.45 93.83 0.95 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.349 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.12 153.74 51.23 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.7 -177.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -108.09 5.33 25.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.322 0.582 . . . . 0.0 110.181 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -124.03 -176.83 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.751 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -86.18 151.5 23.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.642 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -83.59 148.45 27.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.09 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -78.66 -13.69 59.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.083 0.468 . . . . 0.0 110.408 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -109.39 106.8 16.73 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.47 ' OD2' ' HB3' ' A' ' 17' ' ' ARG . 8.7 t0 -69.63 139.92 53.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.588 -175.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -83.14 -18.21 40.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.173 -178.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.47 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 55.6 ttp180 -72.15 -21.8 61.4 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.341 0.591 . . . . 0.0 109.691 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.4 t -63.99 -20.44 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.762 176.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -49.89 -34.25 19.67 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.771 0.428 . . . . 0.0 111.681 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -80.59 -45.2 17.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.37 -177.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 21' ' ' LEU . 5.8 mp -71.67 -31.86 67.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.899 0.381 . . . . 0.0 110.03 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.12 -25.26 67.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 176.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.2 ttm-85 -65.87 -43.26 88.88 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 27' ' ' MET . 96.9 t -69.17 -37.05 75.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.224 174.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -62.15 -41.25 98.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.755 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.463 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 60.2 t80 -62.55 -41.67 99.05 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.58 ' O ' HG22 ' A' ' 31' ' ' VAL . 59.0 mtt -53.19 -48.67 67.86 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 172.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -56.31 -54.36 46.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.064 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -54.36 -44.74 72.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.874 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 26' ' ' PHE . 69.5 t -59.88 -49.01 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.064 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.657 HG23 ' HG2' ' A' ' 112' ' ' ARG . 20.2 m -90.83 2.75 7.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -173.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -110.15 -23.9 11.01 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.781 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 79.6 p -93.1 171.96 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 176.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.579 ' HA ' ' HB2' ' A' ' 37' ' ' LYS . 24.6 t70 -76.29 -1.7 27.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.859 0.361 . . . . 0.0 110.8 -177.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.413 HG22 ' CD1' ' A' ' 36' ' ' PHE . 55.7 m -55.03 -49.52 71.36 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.288 175.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD1' HG22 ' A' ' 35' ' ' THR . 31.9 m-85 -135.84 26.13 3.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 175.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.579 ' HB2' ' HA ' ' A' ' 34' ' ' ASP . 60.3 tttp -53.92 -30.48 46.5 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.263 176.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.17 -31.51 79.44 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.668 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -116.91 93.04 40.63 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 176.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -76.65 -22.41 12.05 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.432 2.088 . . . . 0.0 113.013 -176.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 105' ' ' ALA . 27.6 mm -118.97 133.62 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -177.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.539 ' HB3' ' HB2' ' A' ' 46' ' ' HIS . 16.0 m-85 -110.67 152.32 26.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.097 0.475 . . . . 0.0 111.344 -178.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -86.51 165.56 16.16 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 171.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.668 ' HB3' ' HA3' ' A' ' 133' ' ' GLY . 65.3 m170 -57.91 -18.17 21.35 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.825 0.345 . . . . 0.0 111.309 178.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.26 -37.82 78.56 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 174.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.539 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 83.9 m-70 -78.59 -17.62 55.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.433 178.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 91.8 m -62.67 -61.88 2.12 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.503 ' HB3' ' HA ' ' A' ' 132' ' ' LYS . 21.6 ptt85 -61.24 -29.81 70.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.243 0.544 . . . . 0.0 109.936 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.98 -63.03 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.011 177.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.463 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 44.1 m-85 -74.72 -40.79 61.09 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -175.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.2 mm -63.44 -50.42 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.028 -177.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.543 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 59.5 tp60 -63.19 -47.02 84.34 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.906 -178.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.461 ' HA ' ' HB2' ' A' ' 56' ' ' GLU . 66.9 m -69.58 -25.29 63.9 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.722 0.296 . . . . 0.0 111.751 -177.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.526 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 50.4 t80 -64.34 -36.81 85.33 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 173.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.431 HG12 ' OE1' ' A' ' 89' ' ' GLU . 63.9 mt -71.73 -43.43 70.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.826 174.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 52' ' ' GLN . 45.5 mt-10 -59.6 -16.39 25.41 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.23 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.526 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 34.4 mtt85 -61.99 -12.05 16.64 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 111.485 174.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -65.86 -26.39 67.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.452 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -31.57 72.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.986 0.422 . . . . 0.0 110.343 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.9 m -75.68 -35.26 60.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.457 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -74.54 -35.47 63.12 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.92 -48.21 79.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.613 174.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.45 -33.67 72.89 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.796 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.589 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 3.4 mm-40 -59.5 -48.73 80.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.629 174.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.46 -24.2 66.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.443 0.64 . . . . 0.0 110.748 178.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -92.28 -10.63 37.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.672 -176.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -99.26 -24.82 14.71 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.38 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.589 ' HG3' ' O ' ' A' ' 64' ' ' GLU . 57.6 mttm -84.25 39.65 0.73 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.175 0.512 . . . . 0.0 110.584 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.745 ' HG2' ' HG3' ' A' ' 74' ' ' PRO . 29.7 mtm-85 -60.53 -27.04 67.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.346 177.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 70' ' ' ARG . 47.5 mtp180 59.54 -144.63 0.54 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.725 -178.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.7 m -106.61 15.87 25.24 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.027 0.441 . . . . 0.0 110.224 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -113.35 -91.9 0.49 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.6 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 59.7 mtt85 -160.18 153.44 18.5 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.745 ' HG3' ' HG2' ' A' ' 69' ' ' ARG . 27.7 Cg_exo -62.3 147.34 95.12 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.269 1.979 . . . . 0.0 111.478 175.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 74' ' ' PRO . 37.7 Cg_exo -60.99 96.95 0.12 Allowed 'Trans proline' 0 CA--C 1.527 0.148 0 C-N-CA 122.918 2.412 . . . . 0.0 112.292 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.7 m -65.62 -29.36 69.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.897 0.379 . . . . 0.0 111.269 -176.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -79.06 -53.47 6.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.984 0.421 . . . . 0.0 110.55 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -70.57 -39.14 74.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.351 -173.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -62.0 -42.19 98.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.066 0.46 . . . . 0.0 110.855 -175.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.405 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 59.8 t -74.09 -32.48 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.504 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.09 -34.27 75.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.424 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.01 -45.81 91.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.626 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -58.81 -40.88 85.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.69 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 80.6 mt-30 -66.76 -20.72 66.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -178.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 85' ' ' ARG . 24.8 mmt180 -77.8 -34.35 52.19 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 174.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -63.96 -42.68 97.2 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 171.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.45 -45.15 65.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.07 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -62.07 -50.32 72.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.194 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.431 ' OE1' HG12 ' A' ' 55' ' ' ILE . 10.6 mm-40 -53.12 -52.58 58.23 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.946 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 90' ' ' LEU . 4.1 mm? -67.1 -36.86 82.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.71 -177.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -61.53 -49.61 76.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.975 0.417 . . . . 0.0 110.527 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -72.56 -30.36 64.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.619 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.763 ' HA ' ' HB2' ' A' ' 97' ' ' PHE . 17.7 t80 -64.26 -40.05 95.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.719 178.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -88.1 0.37 56.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.434 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.12 10.88 33.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.174 0.512 . . . . 0.0 110.147 176.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.59 85.29 1.6 Allowed Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.763 ' HB2' ' HA ' ' A' ' 93' ' ' PHE . 22.5 t80 -82.88 142.69 31.28 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -177.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.0 tp -78.21 101.54 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.957 0.408 . . . . 0.0 110.715 -177.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.665 ' HB2' HD12 ' A' ' 129' ' ' ILE . 80.5 m -128.59 157.61 74.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.22 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -81.02 147.17 16.5 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.427 2.085 . . . . 0.0 111.283 174.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -77.72 102.57 7.18 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.498 ' HA ' ' SD ' ' A' ' 108' ' ' MET . 80.5 mt -64.19 -18.48 64.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.295 -174.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.4 p -88.18 5.09 43.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.739 0.304 . . . . 0.0 111.754 -175.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 108' ' ' MET . 15.9 t70 -102.2 106.64 17.51 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 173.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.513 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -64.75 -25.64 68.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.87 -173.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -73.32 -50.0 24.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.344 0.593 . . . . 0.0 109.78 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.427 ' HA ' HD22 ' A' ' 107' ' ' ASN . 4.4 m120 -67.78 -30.09 69.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.919 176.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.513 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 93.0 mmm -66.37 -28.12 68.4 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.8 174.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -68.3 -37.15 80.33 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.34 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -62.99 -38.83 92.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.031 0.443 . . . . 0.0 110.14 171.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.407 HD21 ' HB3' ' A' ' 27' ' ' MET . 9.0 tt -71.56 -42.98 67.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.09 -177.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.657 ' HG2' HG23 ' A' ' 31' ' ' VAL . 52.5 mtp180 -68.32 -25.83 65.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.071 0.463 . . . . 0.0 110.814 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -108.59 21.18 17.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.781 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 44.0 t90 -66.39 157.3 32.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.549 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -147.17 174.66 11.38 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -71.81 63.23 1.23 Allowed Glycine 0 CA--C 1.519 0.343 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.741 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.3 m -133.66 118.18 17.87 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -63.67 -28.98 70.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.93 0.395 . . . . 0.0 110.538 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.12 -20.72 63.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.884 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 48.2 mt -73.69 -11.71 60.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 111.131 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.4 -6.74 59.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.271 0.558 . . . . 0.0 109.549 175.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -96.99 -23.1 16.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.667 174.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 45.4 p -85.33 -18.9 32.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.221 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 58.9 mt -89.73 125.55 35.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.517 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.423 ' HB3' ' OD1' ' A' ' 107' ' ' ASN . 21.0 ttt85 -75.95 82.13 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.695 0.759 . . . . 0.0 109.047 174.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.7 mt -85.49 133.7 34.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.299 -177.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.417 HD12 ' OE1' ' A' ' 135' ' ' GLN . 23.9 pt -122.86 173.61 8.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.447 -175.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.433 ' HD2' ' HA3' ' A' ' 139' ' ' GLY . 29.9 mtt180 -96.76 125.19 41.04 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.096 0.474 . . . . 0.0 110.277 175.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.665 HD12 ' HB2' ' A' ' 99' ' ' CYS . 54.9 mt -119.45 136.83 55.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.804 -177.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.4 ' HB3' ' HB3' ' A' ' 134' ' ' GLU . 6.9 t30 -109.2 122.45 47.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.544 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 42.4 m-20 49.2 -93.42 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 171.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.503 ' HA ' ' HB3' ' A' ' 48' ' ' ARG . 76.2 mttt -87.61 25.46 1.47 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.778 -167.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.668 ' HA3' ' HB3' ' A' ' 44' ' ' HIS . . . 84.86 28.26 32.21 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.3 -0.952 . . . . 0.0 111.476 -177.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 130' ' ' ASN . 30.4 tt0 -80.92 140.28 35.39 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -177.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.417 ' OE1' HD12 ' A' ' 127' ' ' ILE . 57.1 tp60 -78.89 114.56 17.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.389 -174.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.6 t -102.08 100.14 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 173.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 19.1 m -78.12 129.36 37.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.278 -176.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.36 -71.83 2.86 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.914 178.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.433 ' HA3' ' HD2' ' A' ' 128' ' ' ARG . . . 94.88 10.83 57.28 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.684 -176.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.401 HD22 ' HA ' ' A' ' 140' ' ' ASN . 11.7 m120 -110.8 143.38 41.45 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 178.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 C--O 1.245 0.858 0 CA-C-O 118.648 -0.692 . . . . 0.0 109.74 178.793 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.847 0.356 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -80.07 -21.84 42.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.021 0.439 . . . . 0.0 110.394 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -71.17 -10.14 59.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.593 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -80.67 2.84 24.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.195 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.6 tttm 60.09 42.8 15.13 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 122.111 0.958 . . . . 0.0 109.27 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.1 tt -68.8 -29.08 42.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.665 -176.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.99 81.61 5.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.885 0.374 . . . . 0.0 111.315 -176.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.42 1.25 0.52 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.362 176.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -93.07 16.82 11.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.386 . . . . 0.0 111.323 -176.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -145.82 -178.27 6.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.404 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -70.29 -51.41 30.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.321 -175.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.0 tp 66.8 15.45 10.14 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.622 0.725 . . . . 0.0 109.88 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -126.71 -39.32 1.99 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.747 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -69.97 -38.77 76.18 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 169.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.55 -45.74 89.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.468 -1.242 . . . . 0.0 109.851 175.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -80.55 37.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.616 -176.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.555 ' HG3' ' H ' ' A' ' 18' ' ' VAL . 11.8 tpt180 -141.03 175.33 9.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.567 -177.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.555 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 29.2 t -57.98 -24.86 24.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -57.63 -26.98 62.37 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -92.05 -54.98 3.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.202 0.525 . . . . 0.0 110.292 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.84 -34.38 78.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.573 -172.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.463 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -65.52 -31.17 72.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.351 . . . . 0.0 111.442 -176.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -70.38 -33.83 71.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.027 0.442 . . . . 0.0 109.982 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.1 t -68.54 -39.31 80.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.262 176.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -70.78 -34.74 72.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.133 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -60.83 -45.65 93.63 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 120.614 -0.434 . . . . 0.0 109.847 175.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.626 ' O ' HG23 ' A' ' 31' ' ' VAL . 67.5 mtt -54.56 -53.91 48.32 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.773 175.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.442 ' HG3' ' HA ' ' A' ' 112' ' ' ARG . 33.4 tt0 -50.49 -54.58 21.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.614 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.0 -43.16 81.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.026 -176.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.684 HG12 ' HB2' ' A' ' 36' ' ' PHE . 59.8 t -78.02 -37.7 23.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.985 -176.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 27' ' ' MET . 98.2 t -65.2 -39.06 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 121.1 0.476 . . . . 0.0 110.058 177.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -79.45 -18.18 52.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.43 178.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 28.9 t -83.04 153.27 25.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.205 177.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.94 -16.26 63.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.05 0.453 . . . . 0.0 109.877 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.6 m -48.59 -44.99 37.4 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.653 177.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.684 ' HB2' HG12 ' A' ' 30' ' ' VAL . 8.0 m-85 -137.92 15.17 2.87 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.062 0.394 . . . . 0.0 112.062 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 33' ' ' SER . 29.0 ttpt -64.74 -17.35 64.06 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.157 0.503 . . . . 0.0 109.96 175.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.25 -30.15 63.94 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.957 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -95.71 127.57 40.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 176.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.5 -59.29 0.9 Allowed 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.37 2.046 . . . . 0.0 111.079 176.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mm -129.56 153.94 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.008 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.617 ' CE1' HG22 ' A' ' 31' ' ' VAL . 14.1 m-85 -87.0 -165.03 1.18 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.948 0.404 . . . . 0.0 111.772 -174.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -130.9 163.97 26.3 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -176.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.636 ' O ' ' HB ' ' A' ' 47' ' ' THR . 32.6 m170 -71.78 -29.67 64.72 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 174.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.17 -32.77 74.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.385 0.612 . . . . 0.0 109.818 173.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -78.53 -15.28 58.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.329 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.636 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 37.0 m -64.81 -55.62 18.51 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 170.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' A' ' 132' ' ' LYS . 51.7 ttp180 -54.34 -40.66 68.25 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 121.026 0.441 . . . . 0.0 110.086 177.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -65.49 -44.64 86.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.147 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.34 -37.4 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.982 0.42 . . . . 0.0 111.347 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.512 ' O ' HG13 ' A' ' 55' ' ' ILE . 22.6 mm -66.9 -43.44 89.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.287 176.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -64.36 -37.84 88.92 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.552 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 p -68.08 -36.23 79.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.054 0.454 . . . . 0.0 110.726 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -68.28 -25.66 65.26 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 51' ' ' ILE . 68.7 mt -83.71 -16.62 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.872 0.844 . . . . 0.0 109.744 174.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -76.14 -21.28 56.77 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 173.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -53.51 -54.3 39.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.449 174.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -66.41 -28.68 68.81 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.787 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.1 -28.82 68.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.34 0.59 . . . . 0.0 109.914 173.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.432 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 23.6 m -81.78 -27.05 33.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.226 177.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -74.08 -35.52 64.24 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 172.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.639 HD12 HD12 ' A' ' 65' ' ' LEU . 55.7 tp -70.05 -22.42 63.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.127 174.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 60' ' ' THR . 28.6 t70 -64.12 -27.11 68.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.792 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.471 ' HB3' ' HE3' ' A' ' 68' ' ' LYS . 31.7 mt-10 -62.98 -44.03 97.17 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.584 175.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.639 HD12 HD12 ' A' ' 62' ' ' LEU . 91.2 mt -64.43 -34.15 77.51 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.401 ' HE2' ' HG ' ' A' ' 62' ' ' LEU . 64.5 mttm -74.1 -23.79 59.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.073 177.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -86.22 -37.38 18.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.115 0.483 . . . . 0.0 110.769 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.671 ' HB3' ' HB3' ' A' ' 72' ' ' ASN . 82.1 mttt -83.87 18.16 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.156 -178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 46.1 ttt180 -72.82 31.23 0.06 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.997 -173.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -115.3 -70.41 0.8 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.079 0.466 . . . . 0.0 110.649 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.7 t -113.13 -9.84 13.48 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.147 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.671 ' HB3' ' HB3' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -123.59 49.93 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.656 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 19.0 ptt-85 -51.57 147.35 11.22 Favored Pre-proline 0 C--O 1.236 0.376 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.356 -173.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.493 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 50.8 Cg_exo -51.48 111.89 0.69 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.271 2.647 . . . . 0.0 112.965 -175.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -68.87 134.42 29.87 Favored 'Trans proline' 0 CA--C 1.511 -0.634 0 C-N-CA 122.731 2.288 . . . . 0.0 111.032 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.2 m -62.31 -36.58 82.59 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 173.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -61.15 -30.95 70.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.615 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -98.58 -49.14 4.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.094 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.477 ' HG3' HD11 ' A' ' 62' ' ' LEU . 48.0 tt0 -57.37 -44.55 84.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.815 0.341 . . . . 0.0 111.018 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.515 ' O ' ' HG3' ' A' ' 84' ' ' GLN . 92.5 t -72.44 -41.31 64.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.403 -177.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.72 -41.65 97.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.402 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.6 -45.43 86.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.254 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -61.79 -34.24 75.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.297 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 82.8 mt-30 -56.63 -35.88 68.84 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.552 0.215 . . . . 0.0 111.065 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -69.41 -38.77 78.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.926 0.394 . . . . 0.0 110.261 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 55.9 ttt85 -63.99 -51.56 63.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.576 177.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.74 -37.38 87.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.208 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -61.69 -47.24 86.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.97 0.414 . . . . 0.0 110.406 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -61.27 -48.16 82.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.011 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 86' ' ' ARG . 94.7 mt -60.62 -36.59 78.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.24 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -66.27 -31.92 73.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.538 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -73.44 -44.13 58.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -65.08 -28.13 69.25 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.021 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -70.07 -16.88 63.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.612 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -115.4 9.45 15.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 110.367 177.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.54 122.77 2.85 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.148 -177.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -115.35 155.5 27.23 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.2 tp -73.74 106.5 5.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.081 0.467 . . . . 0.0 109.935 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.46 ' HB3' HD12 ' A' ' 129' ' ' ILE . 52.8 t -128.21 142.16 43.66 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.882 -177.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.515 ' HG2' ' SD ' ' A' ' 27' ' ' MET . 29.3 Cg_endo -65.87 134.35 37.1 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 121.927 1.751 . . . . 0.0 111.122 175.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.19 130.66 42.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.945 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.598 ' HB3' ' HB2' ' A' ' 42' ' ' PHE . 50.6 mt -104.09 23.82 12.39 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.491 -176.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.6 p -113.19 -33.55 5.95 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.457 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -79.19 125.93 30.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.944 0.402 . . . . 0.0 110.176 176.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.01 -24.78 58.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.741 -173.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -74.59 -45.83 42.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -56.17 -45.3 79.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.121 174.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 14.9 mtp -69.21 -30.59 68.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.44 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -70.5 -41.08 73.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.752 0.31 . . . . 0.0 110.347 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -64.27 -38.35 90.75 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.68 -39.37 88.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.422 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.442 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 14.6 mtp85 -70.05 -19.38 63.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.891 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -118.49 19.16 13.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.237 0.541 . . . . 0.0 110.535 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -72.92 142.73 47.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.122 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -134.85 -179.32 5.53 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -70.78 77.21 0.52 Allowed Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.993 -0.623 . . . . 0.0 113.071 -175.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 119' ' ' GLY . 84.1 m -152.65 125.95 8.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.698 0.285 . . . . 0.0 110.452 178.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -72.48 -23.43 61.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.721 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.463 ' H ' HG22 ' A' ' 117' ' ' THR . . . -61.94 -34.14 87.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.248 176.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 120' ' ' LEU . 2.0 tt -66.42 -21.15 66.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.589 0.709 . . . . 0.0 109.905 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.488 HD23 HD12 ' A' ' 124' ' ' LEU . 87.1 mt -76.57 0.17 21.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.517 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -93.04 -27.68 16.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.143 172.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 43.7 p -82.14 -31.11 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.488 HD12 HD23 ' A' ' 121' ' ' LEU . 51.1 mt -73.81 111.43 8.96 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.161 172.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 63.7 mtt85 -78.33 73.6 4.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.831 0.824 . . . . 0.0 109.926 176.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.407 HD11 HD22 ' A' ' 121' ' ' LEU . 31.3 mt -76.6 127.39 32.72 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.572 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.536 HD12 ' HG3' ' A' ' 135' ' ' GLN . 24.3 pt -106.52 176.12 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.208 -175.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -96.63 111.22 23.45 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.46 HD12 ' HB3' ' A' ' 99' ' ' CYS . 38.1 mt -110.77 128.07 67.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.1 -174.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -91.2 120.47 32.15 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.424 ' OD2' ' HG3' ' A' ' 132' ' ' LYS . 9.8 p-10 26.62 -73.74 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.481 ' HA ' ' HD3' ' A' ' 48' ' ' ARG . 49.1 mttt -67.49 -15.74 63.83 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -171.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.444 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 110.16 18.14 8.95 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -171.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -83.07 119.29 24.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.865 -0.668 . . . . 0.0 110.178 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.536 ' HG3' HD12 ' A' ' 127' ' ' ILE . 49.6 tt0 -69.34 117.27 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.154 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 31.8 t -82.71 97.68 4.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.192 -177.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 23.1 m -121.36 147.66 25.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.979 177.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.34 -21.83 4.92 Favored Glycine 0 C--O 1.228 -0.255 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.521 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -108.36 43.72 1.64 Allowed Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 -176.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -83.06 8.6 12.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.896 0.379 . . . . 0.0 110.068 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 . . . . . 0 C--O 1.247 0.925 0 CA-C-N 115.122 -0.944 . . . . 0.0 109.707 -179.109 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.8 mtt . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -68.76 -34.86 76.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.987 0.422 . . . . 0.0 109.914 174.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.33 149.44 31.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.835 177.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -85.45 -68.54 0.72 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.398 -175.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -81.92 155.82 25.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.738 -176.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.4 tt -135.98 138.68 47.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.909 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.55 168.69 18.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.954 0.407 . . . . 0.0 111.011 -177.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.38 144.92 25.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.1 mttp -83.78 111.17 18.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.139 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -78.97 168.17 20.07 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.153 -176.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -86.6 -21.97 26.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.181 0.515 . . . . 0.0 109.801 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.5 mt -76.56 114.06 14.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.905 176.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -116.82 150.59 38.1 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.392 -179.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -72.12 -5.9 38.73 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.641 -176.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.45 -41.82 86.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.222 0.534 . . . . 0.0 110.575 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.526 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 46.2 mttm -72.01 -21.77 61.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.683 -178.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 -57.58 -40.29 78.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.072 0.463 . . . . 0.0 110.382 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.3 t -72.34 -41.92 65.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.092 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -23.21 66.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 179.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 49.2 mt-10 -80.6 -64.13 1.26 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.062 0.458 . . . . 0.0 110.736 174.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.1 -35.12 79.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.438 -171.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.11 -31.12 69.74 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -71.24 -40.95 70.74 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.258 0.551 . . . . 0.0 109.833 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.4 t -68.12 -36.23 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.986 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -62.13 -40.24 95.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.728 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.518 ' HE2' ' CD1' ' A' ' 50' ' ' PHE . 75.6 t80 -59.73 -43.39 94.23 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 178.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.49 ' O ' HG23 ' A' ' 31' ' ' VAL . 57.2 mtt -54.39 -50.6 67.16 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.315 174.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 111' ' ' LEU . 40.1 tt0 -54.77 -53.0 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.013 176.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -56.49 -42.29 78.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.13 -177.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 26' ' ' PHE . 79.7 t -62.44 -41.59 92.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.56 -179.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 27' ' ' MET . 47.8 t -71.39 -35.87 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.068 0.461 . . . . 0.0 111.039 -178.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -81.95 -23.17 36.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.375 -176.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 48.1 t -90.49 149.78 22.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.391 -177.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.56 -4.37 11.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.344 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.2 m -57.31 -45.83 83.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.773 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.506 ' HB3' ' HZ ' ' A' ' 42' ' ' PHE . 26.8 m-85 -136.14 17.45 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.208 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 33' ' ' SER . 32.9 ttpt -56.78 -28.89 62.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.852 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.01 -19.2 63.28 Favored Glycine 0 C--N 1.333 0.368 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.778 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -113.65 96.19 39.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -61.83 -31.92 85.41 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.849 2.366 . . . . 0.0 113.032 -174.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 105' ' ' ALA . 31.1 mm -119.9 147.26 23.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.787 0.327 . . . . 0.0 110.221 -179.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.616 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 64.5 m-85 -115.2 -156.82 0.62 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.796 ' HA ' ' HB3' ' A' ' 103' ' ' SER . 11.6 t70 -157.05 174.78 14.99 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -178.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.449 ' O ' ' HB ' ' A' ' 47' ' ' THR . 15.7 m-70 -63.42 -22.69 67.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.006 0.431 . . . . 0.0 110.365 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.1 83.31 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.477 173.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.542 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 88.1 m-70 -82.9 -17.4 43.85 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.449 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 98.5 m -61.26 -61.8 2.3 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.86 172.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.469 ' HB3' ' C ' ' A' ' 132' ' ' LYS . 49.1 ptt85 -56.73 -42.88 80.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.147 179.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.542 ' HB2' ' HA ' ' A' ' 46' ' ' HIS . 29.2 mt-10 -49.91 -61.2 2.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.531 176.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.518 ' CD1' ' HE2' ' A' ' 26' ' ' PHE . 14.0 m-85 -74.3 -38.54 63.34 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -174.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.497 ' O ' HG13 ' A' ' 55' ' ' ILE . 34.9 mm -64.49 -46.33 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.939 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 85.2 mm-40 -63.43 -38.0 89.44 Favored 'General case' 0 N--CA 1.461 0.077 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 178.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.4 m -63.84 -37.48 87.55 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 110.661 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 22.4 t80 -67.1 -32.75 74.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 51' ' ' ILE . 68.9 mt -68.1 -29.09 43.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.261 0.553 . . . . 0.0 110.017 175.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 51.9 mt-10 -71.12 -24.59 62.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.434 175.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 54' ' ' PHE . 94.8 mtt180 -66.63 -27.91 68.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.227 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -68.97 -26.19 64.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.327 0.584 . . . . 0.0 109.857 174.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.451 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 13.7 t70 -73.38 -22.89 60.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.442 177.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.4 m -63.08 -36.52 83.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.097 0.475 . . . . 0.0 110.226 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -79.39 -21.43 45.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.332 0.586 . . . . 0.0 110.019 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.493 HD13 ' HB3' ' A' ' 82' ' ' LEU . 49.9 tp -71.26 -37.71 71.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.402 174.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 27.1 t70 -73.54 -22.67 60.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.234 176.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -66.73 -30.41 70.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.61 173.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.44 HD11 ' HB2' ' A' ' 82' ' ' LEU . 99.9 mt -69.53 -34.16 73.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.692 173.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.413 ' HD2' ' HA ' ' A' ' 63' ' ' ASP . 68.4 mttm -66.15 -37.44 85.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.621 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -78.23 -2.3 37.09 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.852 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -62.45 -45.84 91.25 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -112.93 -176.56 2.93 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -67.14 164.17 18.61 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.4 m -75.09 53.69 0.63 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.478 0.656 . . . . 0.0 110.574 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -126.54 -60.65 1.24 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.116 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.3 mtm-85 -133.74 97.33 15.69 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.625 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -75.19 161.09 38.75 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 123.047 2.498 . . . . 0.0 111.334 175.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.501 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 38.6 Cg_exo -61.42 106.95 0.44 Allowed 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.778 2.319 . . . . 0.0 112.127 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 80' ' ' VAL . 1.6 m -59.07 -52.88 63.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.013 0.435 . . . . 0.0 110.878 -178.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -71.37 -46.48 60.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.307 -174.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.501 ' HB2' ' HB2' ' A' ' 75' ' ' PRO . 79.5 mtt-85 -65.14 -37.83 88.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.308 -174.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -67.14 -38.27 85.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.054 0.454 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 76' ' ' SER . 92.0 t -70.58 -34.21 56.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.427 177.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.2 tp -59.94 -43.27 95.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.818 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.493 ' HB3' HD13 ' A' ' 62' ' ' LEU . 2.0 tm? -60.64 -47.01 88.13 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 175.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -54.39 -47.66 72.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.532 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -64.17 -38.82 92.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.716 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -66.66 -47.55 72.17 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.38 0.61 . . . . 0.0 110.325 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -60.7 -40.84 93.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.125 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.98 -36.83 84.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.232 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -60.65 -48.46 81.68 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.573 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -71.37 -31.26 67.12 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.481 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.06 -44.17 96.55 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -60.85 -44.02 97.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.127 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.05 -39.41 93.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.66 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.748 ' CE2' ' HA ' ' A' ' 131' ' ' ASP . 31.7 t80 -61.7 -38.56 88.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.172 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -78.04 3.05 15.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.045 0.45 . . . . 0.0 111.404 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.07 -2.51 34.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.083 0.468 . . . . 0.0 110.291 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.19 82.71 1.29 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.787 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.525 ' HB2' ' HD1' ' A' ' 93' ' ' PHE . 34.2 t80 -80.46 155.45 27.06 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -177.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 37.4 tp -78.25 96.06 5.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.119 0.485 . . . . 0.0 110.485 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.606 ' HB2' HD12 ' A' ' 129' ' ' ILE . 80.7 m -128.54 144.23 51.34 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.122 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.666 ' HA ' ' HA ' ' A' ' 126' ' ' LEU . 55.3 Cg_endo -71.49 164.0 37.16 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.086 1.857 . . . . 0.0 111.994 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.96 -43.49 98.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.24 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.616 ' HG ' ' HB2' ' A' ' 42' ' ' PHE . 17.1 tp 76.71 -18.68 0.47 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.369 173.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.796 ' HB3' ' HA ' ' A' ' 43' ' ' ASP . 4.0 p -106.56 13.92 27.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.159 0.504 . . . . 0.0 111.371 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 13.6 t70 -108.72 131.96 54.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.765 177.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.475 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -67.2 -40.87 86.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.8 0.333 . . . . 0.0 111.682 -176.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' A' ' 106' ' ' LYS . 8.2 mtmp? -68.18 -33.61 74.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.217 0.532 . . . . 0.0 109.706 178.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.499 ' HA ' ' HD2' ' A' ' 110' ' ' PHE . 6.1 t30 -57.47 -41.7 81.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.208 173.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 15.9 mmt -67.65 -29.31 68.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.474 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.99 -41.8 99.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.499 ' HD2' ' HA ' ' A' ' 107' ' ' ASN . 51.2 m-85 -60.99 -42.18 97.93 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.643 177.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 28' ' ' GLN . 9.6 mp -62.16 -47.8 82.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.822 0.344 . . . . 0.0 110.696 177.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -73.76 -0.44 15.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.45 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -117.9 1.13 12.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.608 176.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.468 ' HA ' HD13 ' A' ' 120' ' ' LEU . 19.8 t90 -74.06 108.57 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.413 0.625 . . . . 0.0 110.69 -175.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -93.32 -16.88 24.21 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.566 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 125.3 -12.18 7.57 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.33 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.557 HG22 ' H ' ' A' ' 119' ' ' GLY . 51.7 m -63.06 122.96 17.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.743 0.306 . . . . 0.0 110.923 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.571 ' HA ' HD23 ' A' ' 121' ' ' LEU . 54.0 t80 -65.53 -20.16 66.22 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.328 -178.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.557 ' H ' HG22 ' A' ' 117' ' ' THR . . . -62.01 -27.83 69.44 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 121.127 -0.558 . . . . 0.0 112.47 177.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 120' ' ' LEU . 2.7 tt -71.3 -21.15 62.11 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 121.176 0.513 . . . . 0.0 109.806 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 118' ' ' PHE . 4.5 mm? -73.32 -3.47 27.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.156 0.503 . . . . 0.0 110.807 -178.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -92.3 -35.7 13.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.733 172.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 39.6 p -86.96 -31.48 20.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.639 -175.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.491 ' HG ' ' CB ' ' A' ' 110' ' ' PHE . 1.9 tt -69.3 133.33 47.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.184 175.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.449 ' O ' ' HA ' ' A' ' 100' ' ' PRO . 40.9 ttm180 -78.06 85.49 4.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 0.0 111.451 -177.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.666 ' HA ' ' HA ' ' A' ' 100' ' ' PRO . 5.4 mp -103.81 128.07 51.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.684 171.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.427 HG13 HG13 ' A' ' 129' ' ' ILE . 18.9 pt -117.97 -171.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.156 -177.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.451 ' NH1' ' HA3' ' A' ' 139' ' ' GLY . 58.0 mtm180 -96.51 112.16 24.01 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.606 HD12 ' HB2' ' A' ' 99' ' ' CYS . 23.2 mt -114.42 133.9 59.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.241 -175.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.532 ' HB2' ' CG2' ' A' ' 136' ' ' VAL . 43.1 t-20 -106.12 109.22 21.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.427 -176.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.748 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 11.0 t0 58.45 -82.79 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 166.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.469 ' C ' ' HB3' ' A' ' 48' ' ' ARG . 14.0 mptt -90.97 29.75 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.492 ' HA2' ' CG2' ' A' ' 129' ' ' ILE . . . 82.46 17.05 69.62 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.6 176.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -81.03 135.81 35.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.151 0.5 . . . . 0.0 111.243 -174.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -62.16 118.87 7.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.369 177.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.532 ' CG2' ' HB2' ' A' ' 130' ' ' ASN . 94.1 t -93.0 127.18 45.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.366 -0.379 . . . . 0.0 109.992 173.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 24.1 m -112.88 161.09 12.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.96 -98.27 2.26 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.635 -178.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.451 ' HA3' ' NH1' ' A' ' 128' ' ' ARG . . . 90.1 -15.27 59.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.521 177.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -103.91 15.92 27.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.189 0.519 . . . . 0.0 109.899 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 C--O 1.247 0.942 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.192 -176.889 . . . . . . . . 0 0 . 1 stop_ save_