data_2k3i_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 2k3i _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 ' 27' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 . . . . . 0 C--O 1.234 0.239 0 CA-C-O 121.57 0.7 . . . . 63.530000000000001 111.779 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 p -120.8 -14.7 8.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.651 -1.159 . . . . 73.219999999999999 108.688 169.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 97.9 m -98.28 119.22 36.57 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.148 -0.933 . . . . 70.530000000000001 109.595 173.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.6 t -97.78 148.53 23.29 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.904 -0.406 . . . . 70.439999999999998 109.904 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -122.64 113.24 18.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.915 -0.772 . . . . 72.540000000000006 108.915 -178.698 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.564 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 92.9 t80 -103.87 116.36 32.14 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.669 -0.696 . . . . 75.209999999999994 110.45 -176.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.534 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 1.3 p -114.2 135.22 54.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.0 -0.546 . . . . 74.319999999999993 111.585 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.69 147.42 31.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.147 -0.933 . . . . 74.519999999999996 109.253 174.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -108.59 124.74 50.95 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.774 -0.454 . . . . 73.010000000000005 109.774 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.469 ' HB3' ' CB ' ' A' ' 41' ' ' GLU . 94.8 m-85 -119.91 166.07 13.8 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.123 -0.49 . . . . 64.140000000000001 110.071 -177.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.0 -30.29 50.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.202 0.314 . . . . 65.129999999999995 111.504 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.9 p -131.12 155.5 46.87 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 121.058 -0.257 . . . . 62.240000000000002 110.437 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -62.6 -26.39 68.58 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.723 -0.473 . . . . 74.040000000000006 109.723 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -58.97 -53.43 58.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.675 -0.693 . . . . 74.310000000000002 110.428 173.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.469 ' CB ' ' HB3' ' A' ' 36' ' ' PHE . 16.1 mm-40 -52.71 -34.04 50.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.621 -0.718 . . . . 55.229999999999997 111.055 177.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.95 -51.97 28.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.908 -0.587 . . . . 54.43 110.879 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.67 -23.93 61.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 111.584 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.7 m -71.07 -34.11 70.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.862 0.363 . . . . 64.540000000000006 110.275 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -76.7 -27.31 55.45 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.651 -0.5 . . . . 72.540000000000006 109.651 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.699 ' HE3' ' HB3' ' A' ' 80' ' ' ALA . 42.1 tpp -60.57 -32.91 71.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.738 -0.664 . . . . 73.329999999999998 110.647 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 38.4 m -54.73 -53.6 52.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.002 -0.544 . . . . 73.299999999999997 111.177 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.494 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 14.0 ptmt -70.74 -26.82 63.54 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.81 -0.356 . . . . 74.5 111.485 -177.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.25 -41.99 98.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.291 -0.263 . . . . 74.230000000000004 110.291 172.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.542 ' HE2' HG13 ' A' ' 65' ' ' VAL . 25.9 mmtp -63.1 -41.12 99.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.596 0.236 . . . . 75.420000000000002 111.016 175.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.494 ' OE1' ' HA ' ' A' ' 48' ' ' LYS . 43.9 mt-10 -59.07 -44.42 91.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.137 0.494 . . . . 71.109999999999999 109.989 177.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.542 HD22 HD23 ' A' ' 100' ' ' LEU . 65.1 mt -70.67 -37.47 73.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.485 -0.779 . . . . 74.109999999999999 111.644 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.95 87.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.413 -0.358 . . . . 73.439999999999998 111.115 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.35 -30.39 71.22 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.306 -0.406 . . . . 65.209999999999994 111.468 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.09 -46.12 24.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.357 -0.383 . . . . 44.340000000000003 110.775 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.75 -50.79 47.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.067 -0.515 . . . . 63.509999999999998 111.339 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.5 p -114.36 120.61 40.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.911 -0.586 . . . . 63.109999999999999 110.07 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 m -71.71 -84.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.381 -0.372 . . . . 72.140000000000001 110.346 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 54.16 -164.97 0.1 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.948 0.88 . . . . 62.0 111.376 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.57 -50.37 11.67 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.689 -1.142 . . . . 63.119999999999997 110.005 175.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -130.0 17.56 5.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.853 -0.612 . . . . 73.420000000000002 110.719 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.35 -176.78 38.89 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.876 -0.678 . . . . 72.329999999999998 112.054 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 83' ' ' THR . . . -67.5 167.87 11.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.884 0.373 . . . . 75.349999999999994 111.204 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.753 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 23.3 m -72.6 140.5 48.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.135 -0.484 . . . . 73.219999999999999 110.139 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.542 HG13 ' HE2' ' A' ' 50' ' ' LYS . 4.7 p -135.88 116.46 18.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.569 0.7 . . . . 64.299999999999997 111.368 -176.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.23 106.96 13.86 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.496 -0.775 . . . . 63.039999999999999 109.119 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.51 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 46.0 p90 -101.11 147.55 26.1 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.087 0.47 . . . . 73.439999999999998 111.69 -171.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.56 ' HD2' ' HB3' ' A' ' 79' ' ' ASP . 77.7 mttt -106.58 138.96 41.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.564 -0.744 . . . . 75.439999999999998 109.958 173.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.1 mt -134.82 103.67 4.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 114.897 -1.047 . . . . 75.030000000000001 109.006 172.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.677 ' HE3' HD21 ' A' ' 72' ' ' LEU . 63.3 tttp -105.06 119.12 38.24 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.103 0.478 . . . . 72.099999999999994 110.111 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.45 96.11 7.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.97 -1.014 . . . . 74.319999999999993 109.29 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.677 HD21 ' HE3' ' A' ' 70' ' ' LYS . 96.9 mt -96.17 -176.05 3.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.174 0.512 . . . . 75.230000000000004 111.025 -177.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.84 97.22 10.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.827 -0.624 . . . . 74.099999999999994 110.4 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.07 -15.95 57.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.627 -0.797 . . . . 72.140000000000001 112.588 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.493 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 14.5 pt20 -152.6 176.26 11.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.74 0.305 . . . . 73.129999999999995 110.206 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.7 m -138.15 154.46 28.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.191 -0.458 . . . . 51.299999999999997 110.368 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -102.72 114.98 29.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.198 -0.455 . . . . 61.109999999999999 110.483 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -104.34 111.08 23.57 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.282 -1.007 . . . . 73.450000000000003 108.282 173.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.564 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 37.8 t70 -133.73 103.1 5.72 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.935 -0.575 . . . . 71.329999999999998 109.811 -177.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.699 ' HB3' ' HE3' ' A' ' 46' ' ' MET . . . -102.95 124.52 48.61 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.19 -0.459 . . . . 62.420000000000002 111.276 -175.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.35 113.68 25.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.802 -0.635 . . . . 74.430000000000007 110.389 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.494 ' O ' ' HA ' ' A' ' 29' ' ' THR . 79.3 m-85 -103.02 112.77 25.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.854 -0.612 . . . . 75.030000000000001 110.723 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.753 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 86.0 m -90.15 104.36 16.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.162 -0.472 . . . . 64.319999999999993 110.33 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.476 ' HB3' ' HG3' ' A' ' 89' ' ' GLU . 96.5 m-85 -91.34 167.45 12.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.932 -0.576 . . . . 64.209999999999994 110.198 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -92.17 -28.72 16.89 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.426 0.632 . . . . 75.030000000000001 109.548 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.631 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 4.0 m -122.85 163.04 21.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.644 -0.707 . . . . 64.319999999999993 109.546 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.534 ' O ' HG12 ' A' ' 91' ' ' ILE . 24.4 tt0 -81.88 -32.56 30.99 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.713 -0.395 . . . . 72.340000000000003 109.941 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.81 -50.02 69.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.751 -0.659 . . . . 60.140000000000001 111.004 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.631 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 7.0 pt-20 -67.67 -25.84 65.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.455 . . . . 73.409999999999997 111.367 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.5 tmm? -73.24 -53.62 10.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.815 0.34 . . . . 72.129999999999995 110.619 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.623 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 19.5 pt -63.75 -40.92 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.166 0.432 . . . . 61.450000000000003 112.166 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 pp -66.32 -29.03 45.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 120.983 0.42 . . . . 73.109999999999999 110.685 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.544 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 75.8 t80 -62.63 -48.29 80.02 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.492 -0.559 . . . . 71.310000000000002 109.492 174.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -56.66 -41.62 77.54 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.987 -0.551 . . . . 73.230000000000004 111.091 174.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 42.6 mt -61.66 -52.37 64.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.074 -0.512 . . . . 74.310000000000002 110.192 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.4 m -53.69 -41.48 66.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.66 -0.7 . . . . 60.219999999999999 111.364 175.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 93.7 mt -58.87 -46.76 87.01 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.936 0.398 . . . . 65.299999999999997 110.548 177.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -64.26 -29.9 70.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.703 -0.68 . . . . 74.329999999999998 111.408 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.3 t -80.64 -42.99 21.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.077 -0.51 . . . . 74.239999999999995 111.31 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.542 HD23 HD22 ' A' ' 52' ' ' LEU . 15.6 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 72.25 111.64 -173.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 121.283 0.563 . . . . 74.540000000000006 111.454 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 p -96.45 -6.03 38.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.348 0.594 . . . . 71.239999999999995 110.043 175.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 85.3 m -109.52 128.36 55.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.321 -0.854 . . . . 73.25 109.956 176.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 t -97.65 117.55 32.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.273 -0.421 . . . . 61.25 110.259 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 28.8 mmmt -101.15 113.34 26.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.887 -0.597 . . . . 73.310000000000002 110.231 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -116.56 121.56 42.12 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.815 -0.629 . . . . 74.219999999999999 110.213 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.9 p -127.38 122.46 33.71 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.248 0.547 . . . . 63.130000000000003 111.275 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.479 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -141.2 144.75 34.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.88 -0.6 . . . . 74.439999999999998 110.321 178.65 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 70.2 m-85 -104.99 130.08 53.28 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.297 -0.41 . . . . 72.420000000000002 110.179 -178.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -126.37 -174.64 3.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.776 -0.647 . . . . 75.420000000000002 109.734 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.46 ' HB2' ' HG3' ' A' ' 41' ' ' GLU . . . -76.42 -70.5 0.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.871 0.367 . . . . 51.119999999999997 111.809 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.7 p -111.1 166.71 10.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.784 0.326 . . . . 61.409999999999997 111.076 -174.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -57.29 -28.2 62.82 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.181 0.515 . . . . 73.519999999999996 110.381 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.42 -42.52 78.81 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.653 -0.703 . . . . 61.439999999999998 110.521 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.46 ' HG3' ' HB2' ' A' ' 37' ' ' ALA . 10.8 mm-40 -55.18 -33.37 62.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.353 -0.839 . . . . 74.129999999999995 110.339 175.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.682 ' HB3' HD23 ' A' ' 78' ' ' LEU . . . -74.92 -48.63 23.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.399 -0.818 . . . . 64.319999999999993 110.451 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -56.64 -43.22 80.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.799 -0.637 . . . . 71.209999999999994 110.693 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.0 m -65.22 -30.9 71.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.636 -0.711 . . . . 74.140000000000001 111.595 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.467 ' O ' HD23 ' A' ' 49' ' ' LEU . 34.1 t80 -79.62 -34.27 40.74 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 120.383 -0.527 . . . . 75.200000000000003 109.706 -177.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.499 ' HG3' ' HE3' ' A' ' 50' ' ' LYS . 40.4 tpp -67.59 -24.75 65.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.987 -0.551 . . . . 73.209999999999994 110.84 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 39.6 m -57.39 -46.53 83.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.331 -0.395 . . . . 63.520000000000003 111.882 -178.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -70.78 -27.7 64.11 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.758 -0.377 . . . . 70.530000000000001 111.087 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.662 HD11 ' HZ ' ' A' ' 93' ' ' PHE . 4.5 mm? -65.92 -29.81 70.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.354 . . . . 73.409999999999997 110.599 176.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.499 ' HE3' ' HG3' ' A' ' 46' ' ' MET . 2.2 mptm? -59.15 -49.38 78.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.355 -0.384 . . . . 74.239999999999995 110.773 176.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -60.81 -45.37 94.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 71.439999999999998 110.4 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.99 -47.15 78.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.313 -0.858 . . . . 75.129999999999995 111.316 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.56 78.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.747 0.308 . . . . 61.329999999999998 111.467 -177.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.41 -33.37 74.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.323 -0.399 . . . . 74.329999999999998 111.135 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.28 -30.63 23.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.252 -0.431 . . . . 64.299999999999997 111.288 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.09 -2.58 52.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 74.310000000000002 112.084 -175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.5 p -111.49 103.07 11.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.499 0.666 . . . . 74.400000000000006 110.59 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.7 m -103.08 -6.7 22.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.66 -0.7 . . . . 63.149999999999999 110.49 -178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.74 83.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.551 . . . . 65.209999999999994 110.12 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 27.8 t70 -177.1 -87.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.6 -0.727 . . . . 72.329999999999998 109.818 175.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 27.5 mt-10 -161.44 7.32 0.07 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.303 -0.862 . . . . 73.120000000000005 108.882 176.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.34 60.42 4.71 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.14 -0.936 . . . . 72.549999999999997 112.686 -174.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.28 123.58 43.68 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.063 -0.717 . . . . 75.209999999999994 109.063 174.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.528 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 68.0 m -98.58 100.52 11.76 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 120.845 0.355 . . . . 71.5 110.636 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 p -100.5 115.89 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-O 121.595 0.712 . . . . 73.329999999999998 110.392 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.24 96.25 5.7 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.175 -0.92 . . . . 72.430000000000007 109.45 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.528 ' HA ' ' O ' ' A' ' 79' ' ' ASP . 15.9 p90 -117.78 139.51 50.97 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.612 -0.435 . . . . 74.129999999999995 110.54 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.821 ' HG2' ' HB3' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -115.91 154.08 30.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.849 -0.614 . . . . 64.120000000000005 109.57 176.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 64.7 mt -112.73 103.92 16.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 N-CA-C 108.901 -0.777 . . . . 73.420000000000002 108.901 172.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.78 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 22.2 tptm -80.85 103.04 10.41 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.395 0.617 . . . . 75.299999999999997 109.946 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.513 ' HA ' HG12 ' A' ' 76' ' ' VAL . 17.3 t70 -78.98 108.54 12.54 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.563 -1.199 . . . . 71.450000000000003 110.105 -176.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.495 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 28.8 mt -119.05 171.51 8.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.046 -0.524 . . . . 65.140000000000001 109.633 177.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -84.93 106.24 16.29 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.715 -0.675 . . . . 72.450000000000003 110.714 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.34 -10.2 61.31 Favored Glycine 0 C--O 1.237 0.312 0 C-N-CA 121.127 -0.559 . . . . 65.140000000000001 112.847 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 12.3 pt20 -167.45 165.66 14.72 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.231 -0.285 . . . . 75.010000000000005 110.231 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 71' ' ' ASP . 28.2 m -136.72 154.66 32.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.651 -0.25 . . . . 70.200000000000003 110.386 178.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.78 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 37.0 tt0 -105.73 115.08 29.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.056 -0.52 . . . . 73.420000000000002 110.13 175.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.682 HD23 ' HB3' ' A' ' 42' ' ' ALA . 3.1 tm? -90.36 109.78 20.88 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.977 -1.12 . . . . 71.299999999999997 107.977 173.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.821 ' HB3' ' HG2' ' A' ' 68' ' ' LYS . 11.7 t70 -115.63 108.86 16.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.57 -0.741 . . . . 73.439999999999998 110.082 -173.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.68 141.34 47.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.174 0.511 . . . . 73.540000000000006 111.984 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -130.79 109.74 10.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.588 -0.733 . . . . 61.340000000000003 109.85 174.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 29' ' ' THR . 88.6 m-85 -103.61 111.62 24.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.575 -0.284 . . . . 74.239999999999995 110.691 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.528 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 90.4 m -102.75 115.12 29.96 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.797 0.332 . . . . 74.209999999999994 110.202 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -100.76 160.51 14.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.29 -0.413 . . . . 74.400000000000006 110.858 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -66.72 -36.15 81.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.936 -0.575 . . . . 74.140000000000001 110.565 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.706 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 33.8 m -118.91 148.71 42.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.819 -0.628 . . . . 71.439999999999998 109.631 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.415 ' O ' HG12 ' A' ' 91' ' ' ILE . 52.6 tt0 -69.08 -28.96 66.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.941 0.4 . . . . 64.25 110.081 176.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.485 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.39 -41.04 72.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.635 -0.711 . . . . 73.150000000000006 111.032 177.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.706 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 1.6 mm-40 -64.39 -32.02 73.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.534 . . . . 64.099999999999994 110.353 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 8.5 tmm? -71.6 -51.03 25.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 62.409999999999997 110.299 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.545 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.4 pt -66.13 -38.25 81.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.29 0.478 . . . . 65.329999999999998 112.29 -176.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 88' ' ' ALA . 30.8 pt -67.06 -29.46 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 O-C-N 121.887 -0.508 . . . . 73.319999999999993 110.106 176.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.662 ' HZ ' HD11 ' A' ' 49' ' ' LEU . 88.0 t80 -69.22 -51.24 39.73 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.537 -0.756 . . . . 74.25 110.902 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -67.75 -32.86 73.75 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 111.774 0.287 . . . . 74.430000000000007 111.774 -177.042 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 88.2 mt -61.43 -49.79 75.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.014 0.435 . . . . 71.540000000000006 110.358 174.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.9 m -57.93 -32.29 67.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.475 -0.784 . . . . 73.430000000000007 111.669 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 87.0 mt -62.7 -47.69 82.52 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.009 0.433 . . . . 71.450000000000003 110.896 178.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -70.22 -37.39 75.01 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.721 -0.672 . . . . 75.239999999999995 111.274 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.9 m -79.4 9.17 5.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.953 0.406 . . . . 63.5 111.439 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.6 tp . . . . . 0 C--N 1.324 -0.543 0 CA-C-O 120.945 0.402 . . . . 55.109999999999999 110.858 -177.712 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 . . . . . 0 CA--C 1.518 -0.265 0 N-CA-C 109.248 -0.649 . . . . 62.329999999999998 109.248 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 63.1 m -100.68 11.75 38.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.987 0.898 . . . . 64.230000000000004 109.112 172.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.8 m -127.83 130.84 49.3 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.172 -1.376 . . . . 73.140000000000001 108.867 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.2 t -97.77 113.27 25.01 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.01 0.433 . . . . 65.129999999999995 110.628 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -98.06 112.68 24.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.688 -0.687 . . . . 65.25 109.444 173.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -123.72 118.03 26.29 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.177 -0.465 . . . . 73.329999999999998 110.15 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.4 m -117.44 131.55 56.73 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.204 0.526 . . . . 63.399999999999999 110.58 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.58 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 2.9 mmp_? -134.21 150.35 51.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.79 -0.641 . . . . 55.219999999999999 110.602 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -107.46 132.29 53.37 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.797 -0.445 . . . . 74.140000000000001 109.797 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -127.84 171.51 11.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.316 -0.402 . . . . 74.329999999999998 110.32 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.42 -54.55 13.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.821 0.344 . . . . 62.229999999999997 111.31 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.2 p -128.16 167.47 16.77 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 121.05 -0.26 . . . . 72.420000000000002 110.517 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -60.34 -25.63 65.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.175 0.512 . . . . 71.129999999999995 110.097 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -61.45 -51.04 70.33 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.352 -0.84 . . . . 75.540000000000006 110.338 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.62 -31.2 62.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.92 -1.036 . . . . 72.439999999999998 110.753 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.63 -52.79 9.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.455 -0.793 . . . . 75.239999999999995 111.392 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.48 -33.93 75.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.319 -0.401 . . . . 72.540000000000006 111.1 -177.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.8 m -62.94 -28.24 69.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.992 0.425 . . . . 71.299999999999997 111.07 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.543 ' O ' HD23 ' A' ' 49' ' ' LEU . 74.0 t80 -79.96 -36.57 35.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 61.229999999999997 110.59 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 42.1 tpp -71.06 -29.62 65.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.127 -0.488 . . . . 74.400000000000006 111.924 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.628 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 28.1 m -53.79 -51.81 62.27 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.935 0.346 . . . . 73.519999999999996 111.935 -177.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -73.58 -28.12 61.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.809 0.338 . . . . 63.140000000000001 111.243 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 45' ' ' PHE . 3.8 mm? -62.86 -36.89 84.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.385 -0.37 . . . . 74.329999999999998 110.644 176.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.628 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 32.9 mttt -58.03 -42.91 86.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 63.149999999999999 110.962 176.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -68.28 -45.48 72.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 73.310000000000002 110.141 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.24 -38.34 88.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.654 -0.703 . . . . 63.350000000000001 111.138 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.47 -33.05 73.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 65.450000000000003 111.492 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.792 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . . . -70.47 -45.29 66.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.908 0.385 . . . . 63.25 110.787 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.94 82.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.782 -0.645 . . . . 71.25 111.716 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.91 -13.11 48.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.986 0.365 . . . . 65.340000000000003 111.986 -176.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 82.3 p -74.17 139.68 44.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.115 0.483 . . . . 74.340000000000003 110.884 -177.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.55 -26.66 68.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.571 -0.741 . . . . 63.409999999999997 111.152 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.446 ' C ' ' H ' ' A' ' 61' ' ' GLU . . . -92.18 -1.73 56.97 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.464 0.542 . . . . 73.010000000000005 112.464 -173.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.32 -26.02 0.16 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.192 0.812 . . . . 72.120000000000005 113.192 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.446 ' H ' ' C ' ' A' ' 59' ' ' ALA . 9.6 mm-40 -66.55 -56.37 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.335 0.588 . . . . 71.540000000000006 110.482 177.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.792 ' HA2' ' HA ' ' A' ' 54' ' ' ALA . . . 163.74 159.39 10.72 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 115.191 -0.913 . . . . 62.229999999999997 110.915 -177.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -87.01 153.7 21.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.807 0.304 . . . . 74.140000000000001 110.487 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.828 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 19.8 m -65.55 97.93 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.242 -0.436 . . . . 74.420000000000002 109.836 176.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.469 HG22 ' HD2' ' A' ' 67' ' ' TYR . 4.3 p -103.22 116.94 47.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.516 0.674 . . . . 74.5 111.084 -177.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.14 100.82 9.15 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.445 -0.798 . . . . 61.219999999999999 109.0 172.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.469 ' HD2' HG22 ' A' ' 65' ' ' VAL . 44.0 p90 -112.68 143.4 43.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.915 0.388 . . . . 74.420000000000002 111.132 -175.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -135.02 154.08 51.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.75 -0.659 . . . . 71.129999999999995 110.584 175.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.9 mt -132.15 114.47 24.01 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.098 -0.955 . . . . 73.019999999999996 109.931 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -104.15 119.67 39.46 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.265 -0.425 . . . . 73.120000000000005 110.301 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.538 ' HA ' HG13 ' A' ' 76' ' ' VAL . 8.1 m-20 -80.02 118.42 21.73 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.539 -0.755 . . . . 75.030000000000001 109.91 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.3 mt -111.24 -175.26 2.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.374 -0.375 . . . . 74.239999999999995 110.083 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -90.79 100.52 13.36 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.904 0.383 . . . . 73.439999999999998 110.496 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.66 -16.85 57.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.067 -0.587 . . . . 52.109999999999999 112.211 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -154.35 177.04 11.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.893 -0.41 . . . . 74.319999999999993 109.893 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.538 HG13 ' HA ' ' A' ' 71' ' ' ASP . 35.8 m -137.21 159.92 35.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 110.416 -0.216 . . . . 73.439999999999998 110.416 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -112.45 115.36 28.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.948 0.404 . . . . 74.340000000000003 110.503 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -93.41 115.94 28.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.237 -1.023 . . . . 65.049999999999997 108.237 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -116.23 117.75 30.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.01 -0.541 . . . . 72.230000000000004 110.412 -175.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.24 146.61 41.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.067 0.461 . . . . 65.099999999999994 111.551 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -142.6 106.28 4.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.647 -0.706 . . . . 73.129999999999995 109.827 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -109.58 112.31 24.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.419 -0.355 . . . . 75.040000000000006 110.741 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.828 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 19.3 m -94.4 108.71 20.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.236 -0.438 . . . . 72.420000000000002 110.364 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.595 ' HB3' ' HB3' ' A' ' 89' ' ' GLU . 97.4 m-85 -99.31 -13.52 19.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 72.219999999999999 110.611 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 m 74.98 -33.42 0.24 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.526 -1.215 . . . . 74.530000000000001 111.527 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 59.9 m -105.33 149.4 26.1 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.433 -0.581 . . . . 60.140000000000001 109.433 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.515 ' O ' HG12 ' A' ' 91' ' ' ILE . 17.0 tt0 -77.1 -31.75 56.13 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.193 -0.203 . . . . 74.129999999999995 111.259 -177.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.82 71.73 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.624 -0.51 . . . . 73.219999999999999 109.624 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.595 ' HB3' ' HB3' ' A' ' 84' ' ' PHE . 0.4 OUTLIER -54.55 -29.94 52.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.583 -0.735 . . . . 74.040000000000006 111.867 173.663 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -75.38 -49.92 17.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.545 -0.298 . . . . 73.319999999999993 110.735 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 87' ' ' GLN . 12.3 pt -70.39 -34.21 57.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 112.289 0.477 . . . . 60.049999999999997 112.289 -176.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.5 pt -65.92 -30.72 50.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.231 0.539 . . . . 73.230000000000004 110.073 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.63 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 34.4 t80 -69.2 -44.95 71.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.727 -0.67 . . . . 74.209999999999994 109.411 175.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 71.4 mm-40 -55.95 -52.73 63.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.622 -0.717 . . . . 74.409999999999997 111.28 176.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.0 mt -55.1 -42.15 72.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.325 -0.398 . . . . 72.549999999999997 111.08 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.8 m -63.53 -47.56 81.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 73.219999999999999 111.14 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 58.3 mt -62.03 -48.49 80.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.128 0.489 . . . . 73.430000000000007 111.239 -178.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 94' ' ' GLU . 87.9 mtt180 -67.53 -37.45 82.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.625 -0.716 . . . . 75.430000000000007 111.33 -171.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.6 m -75.22 -30.93 60.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.969 0.414 . . . . 73.230000000000004 111.075 -178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.9 tp . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 121.083 0.468 . . . . 72.030000000000001 110.698 -178.312 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 . . . . . 0 CA--C 1.518 -0.26 0 N-CA-C 108.78 -0.822 . . . . 74.219999999999999 108.78 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 66.4 m -100.43 9.8 42.1 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.199 0.523 . . . . 70.140000000000001 109.635 176.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 12.3 m -98.43 121.13 39.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.658 -0.701 . . . . 62.310000000000002 110.719 -178.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 16.5 m -98.13 113.72 25.71 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.785 -0.643 . . . . 73.120000000000005 110.053 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.485 ' HZ2' ' CG ' ' A' ' 79' ' ' ASP . 14.8 mmmt -103.07 130.03 50.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.811 -0.631 . . . . 73.150000000000006 111.69 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 51.9 t80 -133.05 120.46 21.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.464 -0.569 . . . . 72.329999999999998 109.464 170.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -126.76 119.44 26.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.458 -0.337 . . . . 73.439999999999998 110.681 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -146.74 145.45 29.97 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.476 -0.194 . . . . 74.030000000000001 110.476 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -85.14 141.94 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.934 -0.395 . . . . 73.420000000000002 109.934 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.404 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 81.1 m-85 -128.44 159.75 34.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.261 -0.427 . . . . 75.319999999999993 110.526 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.28 96.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 51.549999999999997 111.511 -176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.7 p -136.47 160.39 38.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.511 -0.313 . . . . 74.219999999999999 110.195 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.529 ' HG3' HG21 ' A' ' 69' ' ' ILE . 69.1 ttt180 -59.67 -31.78 69.87 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.942 0.401 . . . . 72.329999999999998 109.934 174.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -54.86 -47.11 74.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.74 -0.664 . . . . 64.540000000000006 110.715 175.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 21.8 mm-40 -57.72 -30.64 65.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.421 -0.809 . . . . 62.229999999999997 110.993 177.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.46 ' HB1' HD22 ' A' ' 78' ' ' LEU . . . -75.85 -44.63 39.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.917 -0.583 . . . . 75.549999999999997 110.375 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 69.9 mm-40 -59.96 -45.0 94.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.786 -0.643 . . . . 63.420000000000002 110.059 177.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.3 m -66.32 -28.22 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.573 -0.74 . . . . 62.140000000000001 111.698 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.556 ' O ' HD23 ' A' ' 49' ' ' LEU . 50.3 t80 -74.09 -35.38 64.19 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.145 0.497 . . . . 73.430000000000007 109.762 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.444 ' HE1' ' HB2' ' A' ' 80' ' ' ALA . 35.2 tpp -67.9 -24.34 65.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.554 -0.748 . . . . 63.020000000000003 111.268 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.669 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 3.0 m -56.41 -49.35 74.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.286 -0.415 . . . . 60.340000000000003 111.556 -177.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -71.68 -29.88 65.08 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.682 -0.407 . . . . 65.420000000000002 110.714 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.1 mm? -61.03 -40.3 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 71.230000000000004 110.539 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.669 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 22.9 mttm -54.01 -51.09 65.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.697 -0.683 . . . . 74.040000000000006 111.682 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -69.6 -42.22 74.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.028 0.442 . . . . 74.239999999999995 111.319 -178.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.73 -41.69 99.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.769 -0.65 . . . . 74.340000000000003 111.584 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.83 94.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 63.5 111.149 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.46 91.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.985 -0.552 . . . . 75.209999999999994 111.025 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.53 -39.02 77.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 75.310000000000002 111.504 -177.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.526 ' HB1' HD11 ' A' ' 92' ' ' ILE . . . -58.45 -46.27 86.88 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.261 -0.427 . . . . 54.409999999999997 111.416 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.664 ' HB3' ' HA2' ' A' ' 62' ' ' GLY . 34.3 t -86.86 -36.99 18.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.27 -0.423 . . . . 71.340000000000003 111.348 -177.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m 66.08 6.07 3.92 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.687 -0.688 . . . . 53.240000000000002 111.701 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.85 38.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.511 -0.313 . . . . 71.310000000000002 111.05 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 66.11 -74.29 0.06 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.365 0.666 . . . . 64.340000000000003 111.713 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.25 -38.55 90.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.098 0.475 . . . . 73.329999999999998 110.303 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.664 ' HA2' ' HB3' ' A' ' 57' ' ' SER . . . 87.23 -93.63 1.9 Allowed Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.846 -0.693 . . . . 62.5 112.174 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.33 146.16 30.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.489 0.185 . . . . 71.109999999999999 110.773 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.7 m -73.54 123.15 23.4 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.365 -0.605 . . . . 73.349999999999994 109.365 173.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.645 HG22 ' HD2' ' A' ' 67' ' ' TYR . 4.6 p -102.35 116.64 46.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.643 0.735 . . . . 73.299999999999997 111.379 -175.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.66 96.85 6.2 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.377 -0.829 . . . . 73.109999999999999 109.046 172.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.645 ' HD2' HG22 ' A' ' 65' ' ' VAL . 48.8 p90 -109.71 132.68 53.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.271 0.558 . . . . 72.239999999999995 111.203 -175.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -109.06 134.99 50.95 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.524 -0.762 . . . . 61.119999999999997 110.293 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.529 HG21 ' HG3' ' A' ' 39' ' ' ARG . 60.1 mt -131.58 104.31 8.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 CA-C-N 114.989 -1.005 . . . . 65.140000000000001 108.936 177.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -98.53 117.63 33.41 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.556 -0.458 . . . . 71.340000000000003 110.29 -176.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.711 ' HA ' HG12 ' A' ' 76' ' ' VAL . 15.9 m-20 -72.32 102.12 3.05 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.148 -0.933 . . . . 64.209999999999994 109.383 177.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 31.2 mt -95.51 -172.59 2.67 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.967 -0.561 . . . . 74.140000000000001 109.502 -178.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -93.87 98.67 11.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.085 0.469 . . . . 75.420000000000002 110.349 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.44 -4.11 61.84 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.801 -0.714 . . . . 75.140000000000001 112.82 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 10.7 pt20 -168.6 179.13 4.42 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.987 -0.375 . . . . 73.239999999999995 109.987 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.711 HG12 ' HA ' ' A' ' 71' ' ' ASP . 34.3 m -139.43 163.09 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.577 0.227 . . . . 72.010000000000005 110.413 176.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -114.53 122.81 47.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.489 -0.323 . . . . 71.430000000000007 110.169 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.506 HD22 HG12 ' A' ' 69' ' ' ILE . 3.4 tm? -100.55 116.67 33.04 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.857 -0.794 . . . . 72.040000000000006 108.857 176.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.485 ' CG ' ' HZ2' ' A' ' 31' ' ' LYS . 25.2 t70 -128.97 110.07 11.76 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.885 -0.598 . . . . 71.239999999999995 110.257 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.444 ' HB2' ' HE1' ' A' ' 46' ' ' MET . . . -110.52 124.52 51.97 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.052 -0.522 . . . . 64.530000000000001 111.118 -176.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 30' ' ' SER . . . -117.97 108.51 15.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.529 . . . . 73.310000000000002 110.622 176.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.44 ' CE1' HD13 ' A' ' 49' ' ' LEU . 54.8 m-85 -99.37 131.15 45.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.231 -0.44 . . . . 62.409999999999997 110.667 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.9 m -96.15 104.97 16.95 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.108 -0.33 . . . . 71.040000000000006 110.108 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -92.1 -177.75 4.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 70.510000000000005 110.873 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 88.6 p -102.43 -31.9 10.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.208 0.528 . . . . 71.329999999999998 110.919 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.665 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 15.8 m -119.68 150.49 40.27 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.002 -0.544 . . . . 74.519999999999996 109.867 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.414 ' O ' HG12 ' A' ' 91' ' ' ILE . 53.0 tp60 -62.09 -40.89 97.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.091 0.472 . . . . 75.349999999999994 110.364 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.31 -37.03 66.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.515 -0.766 . . . . 64.049999999999997 111.139 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.665 ' HG3' ' HB2' ' A' ' 86' ' ' CYS . 47.2 mt-10 -65.52 -32.15 73.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 65.120000000000005 110.802 -177.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.2 ttt -68.74 -54.48 15.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.28 0.562 . . . . 74.219999999999999 110.76 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 87' ' ' GLN . 1.4 pt -67.74 -32.85 58.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.547 -0.751 . . . . 74.519999999999996 112.718 -174.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.526 HD11 ' HB1' ' A' ' 56' ' ' ALA . 2.6 pp -73.43 -30.74 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.305 -0.558 . . . . 70.310000000000002 110.708 175.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.666 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 39.9 t80 -70.16 -51.73 29.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.88 -0.6 . . . . 72.129999999999995 110.863 -176.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -59.98 -41.66 92.48 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.822 0.344 . . . . 53.340000000000003 111.11 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.75 -48.04 78.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.218 -0.446 . . . . 71.340000000000003 110.584 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.4 t -59.3 -40.88 87.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 72.340000000000003 111.315 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.3 mt -57.3 -48.44 78.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.035 0.445 . . . . 63.030000000000001 111.139 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -77.47 -36.8 52.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.631 -0.713 . . . . 73.319999999999993 111.115 -175.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 m -85.62 2.24 45.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 55.450000000000003 111.351 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.6 tp . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 121.268 0.556 . . . . 70.340000000000003 109.717 176.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 . . . . . 0 C--O 1.231 0.129 0 N-CA-C 110.172 -0.307 . . . . 72.439999999999998 110.172 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.1 p -100.01 -14.44 18.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.229 0.538 . . . . 73.230000000000004 110.022 175.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.8 m -99.12 125.8 44.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.718 -0.673 . . . . 75.129999999999995 109.367 172.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 t -127.08 122.0 33.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.723 0.297 . . . . 62.039999999999999 110.362 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.459 ' HG3' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -99.77 152.35 20.21 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 121.029 0.442 . . . . 74.200000000000003 110.314 172.203 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.504 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 67.1 t80 -134.51 116.04 14.62 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.555 -0.748 . . . . 71.140000000000001 109.442 176.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.0 m -110.52 112.74 24.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.95 -0.568 . . . . 71.239999999999995 110.025 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -131.87 139.92 48.94 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.663 -0.495 . . . . 71.420000000000002 109.663 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -92.75 139.74 30.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.905 0.383 . . . . 70.299999999999997 110.768 -175.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -132.43 179.84 5.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.761 -0.654 . . . . 75.109999999999999 109.648 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.69 -58.65 3.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.784 0.326 . . . . 65.129999999999995 110.877 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.0 p -131.88 170.26 15.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.486 -0.325 . . . . 74.329999999999998 110.85 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.655 ' HB2' HG22 ' A' ' 69' ' ' ILE . 5.2 ptp180 -63.86 -24.18 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.0 0.428 . . . . 74.219999999999999 110.289 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.72 -46.72 84.13 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.518 0.675 . . . . 72.239999999999995 109.863 176.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.07 -28.12 68.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.815 -1.084 . . . . 62.049999999999997 110.315 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.493 ' HB1' HD22 ' A' ' 78' ' ' LEU . . . -74.98 -39.59 61.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.43 -0.804 . . . . 74.230000000000004 111.104 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 24.1 mm-40 -60.19 -42.29 94.72 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.229 -0.442 . . . . 73.219999999999999 110.345 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -61.36 -28.79 69.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 54.210000000000001 111.467 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.44 ' O ' HD22 ' A' ' 49' ' ' LEU . 51.8 t80 -73.5 -37.17 65.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.607 -0.516 . . . . 64.530000000000001 109.607 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.763 ' HA ' ' HE3' ' A' ' 46' ' ' MET . 0.9 OUTLIER -64.87 -30.52 71.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.754 -0.657 . . . . 60.350000000000001 111.046 179.241 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.9 m -57.64 -53.17 61.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.109999999999999 111.763 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -73.74 -28.27 61.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.912 0.386 . . . . 74.200000000000003 111.234 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.54 HD11 HD11 ' A' ' 52' ' ' LEU . 3.6 mm? -70.25 -27.36 64.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.147 -0.479 . . . . 74.040000000000006 111.073 178.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.42 -41.84 99.0 Favored 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 110.012 -0.366 . . . . 74.409999999999997 110.012 176.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -60.39 -41.12 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.809 -0.632 . . . . 74.5 110.662 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.54 HD11 HD11 ' A' ' 49' ' ' LEU . 77.4 mt -64.36 -51.17 64.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.811 -0.631 . . . . 61.409999999999997 110.998 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.39 -40.31 96.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.855 0.36 . . . . 75.540000000000006 111.285 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.65 90.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.062 -0.517 . . . . 62.420000000000002 111.33 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.96 -36.9 35.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.579 -0.282 . . . . 75.310000000000002 111.633 -176.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.38 -55.9 13.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 74.319999999999993 111.579 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.588 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 19.5 m -97.99 -55.2 2.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.35 -0.387 . . . . 45.420000000000002 111.714 -175.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.9 m 69.11 -63.85 0.35 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.122 -0.945 . . . . 60.130000000000003 110.647 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 58.34 -82.55 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.895 0.747 . . . . 64.439999999999998 111.128 -175.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -160.3 -58.24 0.06 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.461 -0.57 . . . . 72.109999999999999 109.461 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -114.32 14.28 17.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.384 -0.825 . . . . 75.140000000000001 111.084 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.12 173.83 21.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.86 -0.685 . . . . 63.32 113.005 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.65 163.85 13.2 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.473 0.309 . . . . 71.209999999999994 110.189 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.923 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 45.7 m -73.3 94.46 2.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.89 0.376 . . . . 74.430000000000007 110.381 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 p -111.27 121.16 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-O 121.389 0.614 . . . . 73.219999999999999 110.296 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.11 99.16 4.63 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.619 -0.719 . . . . 71.519999999999996 109.916 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.621 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 20.1 p90 -99.3 138.48 36.33 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.075 -0.343 . . . . 65.030000000000001 110.075 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -114.02 155.63 25.57 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.69 -0.485 . . . . 74.25 109.69 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.655 HG22 ' HB2' ' A' ' 39' ' ' ARG . 61.2 mt -125.0 115.55 44.53 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.54 -0.755 . . . . 75.409999999999997 109.338 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.824 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 38.9 ttmt -98.99 96.45 7.83 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.631 0.729 . . . . 70.319999999999993 109.73 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.79 ' HA ' HG12 ' A' ' 76' ' ' VAL . 4.6 m-20 -72.02 104.82 3.67 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.207 -1.361 . . . . 75.450000000000003 109.704 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.34 -172.67 2.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.313 0.578 . . . . 71.049999999999997 111.069 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -78.99 101.47 7.8 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.495 -0.775 . . . . 73.519999999999996 110.622 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.8 -6.07 79.56 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.877 -0.678 . . . . 44.340000000000003 113.203 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -164.97 177.12 8.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.731 0.265 . . . . 74.340000000000003 110.448 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' ' 71' ' ' ASP . 35.3 m -134.96 155.05 37.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.917 0.389 . . . . 75.450000000000003 111.055 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.824 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 27.7 tt0 -105.51 114.34 28.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.672 -0.695 . . . . 72.549999999999997 109.503 174.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.493 HD22 ' HB1' ' A' ' 42' ' ' ALA . 3.4 tm? -98.12 114.67 26.94 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.817 -0.808 . . . . 73.310000000000002 108.817 176.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.504 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 27.0 t70 -126.91 111.02 13.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.292 -0.413 . . . . 75.25 110.438 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.621 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -103.92 124.07 48.31 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.111 -0.495 . . . . 72.349999999999994 110.844 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.459 ' HA ' ' HG3' ' A' ' 31' ' ' LYS . . . -96.02 109.94 22.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.08 -0.509 . . . . 74.329999999999998 110.754 178.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -102.34 124.35 47.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.226 -0.443 . . . . 73.0 110.602 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.923 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 10.8 m -115.19 107.24 15.03 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.857 -0.423 . . . . 51.109999999999999 109.857 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.55 ' HB3' ' HB2' ' A' ' 89' ' ' GLU . 70.0 m-85 -99.67 146.54 26.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.736 -0.666 . . . . 75.409999999999997 110.405 -177.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.9 m -63.69 -36.26 83.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.112 -0.495 . . . . 63.43 110.786 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 43.1 m -130.65 162.51 29.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.04 -0.527 . . . . 73.109999999999999 110.328 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.403 ' O ' HG12 ' A' ' 91' ' ' ILE . 19.6 tt0 -70.31 -26.39 63.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.412 -0.358 . . . . 52.439999999999998 110.526 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.477 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.85 -43.97 77.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.556 . . . . 72.109999999999999 110.758 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.588 ' HB3' ' HG ' ' A' ' 57' ' ' SER . 1.8 mm-40 -67.89 -28.8 67.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 64.099999999999994 110.268 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -75.21 -49.76 18.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.955 -0.566 . . . . 73.150000000000006 110.348 -175.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 87' ' ' GLN . 21.5 pt -66.63 -36.25 76.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.108 0.41 . . . . 65.109999999999999 112.108 -176.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 88' ' ' ALA . 39.9 pt -69.71 -30.67 45.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-O 121.225 0.536 . . . . 54.130000000000003 110.25 177.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.599 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 88.5 t80 -66.42 -47.82 72.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.511 -0.768 . . . . 72.439999999999998 110.183 177.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.455 ' HA ' HD12 ' A' ' 97' ' ' LEU . 22.3 mm-40 -55.71 -49.29 73.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.913 -0.585 . . . . 61.509999999999998 111.185 178.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.72 -44.78 93.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 75.129999999999995 110.933 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.7 t -71.88 -23.14 61.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.927 -0.579 . . . . 73.230000000000004 111.323 -176.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 67.5 mt -53.36 -56.97 12.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.891 0.377 . . . . 73.040000000000006 111.186 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.465 ' HD3' ' H ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -77.82 -29.51 50.66 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.502 -0.479 . . . . 75.400000000000006 111.157 -178.563 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 m -77.42 -8.08 57.16 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.97 0.359 . . . . 72.430000000000007 111.97 -175.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.538 HD22 HD23 ' A' ' 52' ' ' LEU . 24.6 tp . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 121.231 0.539 . . . . 72.25 110.053 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.401 ' O ' ' HB3' ' A' ' 28' ' ' CYS . 4.1 p-10 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.066 -0.716 . . . . 73.319999999999993 109.066 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 27' ' ' ASN . 17.6 p 163.22 15.94 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 O-C-N 124.37 1.044 . . . . 72.450000000000003 109.952 178.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 31.1 m -115.96 123.16 47.34 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 120.94 0.4 . . . . 73.430000000000007 111.116 -173.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.722 ' HB2' ' HG3' ' A' ' 90' ' ' MET . 28.3 t -97.22 121.79 39.51 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.307 -0.627 . . . . 75.340000000000003 109.307 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -109.2 151.71 26.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.954 0.407 . . . . 74.230000000000004 110.028 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -161.75 123.45 2.83 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.413 -0.812 . . . . 74.230000000000004 110.108 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.628 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 4.4 m -133.41 107.09 7.86 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.708 -0.478 . . . . 74.510000000000005 109.708 175.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -113.98 142.55 46.02 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.051 -0.351 . . . . 64.530000000000001 110.051 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.45 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 81.3 m-85 -90.18 132.87 35.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.282 -0.417 . . . . 73.430000000000007 110.048 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.452 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 97.4 m-85 -119.39 158.02 27.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.217 -0.447 . . . . 61.340000000000003 110.633 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.12 99.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 74.420000000000002 111.041 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.2 p -133.69 160.65 36.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.623 -0.262 . . . . 74.019999999999996 110.44 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.759 ' HA ' HG22 ' A' ' 76' ' ' VAL . 21.0 ttt180 -61.95 -30.13 70.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.889 0.376 . . . . 75.239999999999995 110.237 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -55.55 -49.84 71.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.775 -0.648 . . . . 72.540000000000006 110.354 175.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 12.2 mm-40 -56.55 -32.56 65.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.996 -1.002 . . . . 61.329999999999998 110.976 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.15 -52.15 10.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.559 -0.746 . . . . 71.010000000000005 110.957 -178.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 1.013 ' HG2' HD13 ' A' ' 69' ' ' ILE . 51.4 mt-10 -64.01 -34.16 77.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 74.439999999999998 110.769 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.0 t -65.47 -29.27 69.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.938 -0.574 . . . . 73.010000000000005 110.953 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.487 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 56.2 t80 -76.1 -42.88 45.8 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.43 -0.35 . . . . 73.0 110.226 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.612 ' HE2' HD11 ' A' ' 78' ' ' LEU . 47.3 tpp -63.11 -24.26 67.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 72.209999999999994 111.292 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.492 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 31.3 m -53.96 -50.33 66.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.339 -0.392 . . . . 71.140000000000001 111.463 178.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 17.0 ptmt -74.07 -27.79 61.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.351 -0.386 . . . . 75.010000000000005 111.353 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.436 HD12 ' HZ ' ' A' ' 93' ' ' PHE . 4.4 mm? -63.61 -30.25 71.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.732 0.301 . . . . 70.099999999999994 110.453 176.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 47' ' ' THR . 5.2 mptp? -56.39 -40.54 74.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 71.340000000000003 110.719 174.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -75.25 -51.13 14.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.968 -0.56 . . . . 74.400000000000006 110.783 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.0 mt -57.87 -42.72 85.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.349 -0.841 . . . . 73.019999999999996 112.161 -174.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.19 85.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.747 0.308 . . . . 71.129999999999995 111.64 -178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.557 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . . . -76.08 -30.25 58.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.312 -0.403 . . . . 75.299999999999997 111.452 -177.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.02 -33.91 38.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.876 0.37 . . . . 71.310000000000002 111.357 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.7 -42.31 22.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.05 -0.523 . . . . 63.109999999999999 111.437 -178.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -86.3 127.76 34.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.052 0.453 . . . . 63.329999999999998 111.064 -175.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m -77.96 12.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.681 -0.691 . . . . 65.129999999999995 111.826 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 60' ' ' ASP . . . -89.4 19.31 4.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.52 -0.309 . . . . 72.239999999999995 111.464 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' ' 59' ' ' ALA . 4.7 m-20 71.17 -69.66 0.18 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.745 -0.661 . . . . 70.439999999999998 112.258 177.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -92.99 31.76 1.37 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.871 -0.604 . . . . 74.450000000000003 111.09 -171.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.557 ' HA2' ' HA ' ' A' ' 54' ' ' ALA . . . 85.61 -133.35 11.73 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.744 -0.741 . . . . 43.420000000000002 111.856 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.62 171.3 14.57 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.151 -0.314 . . . . 72.129999999999995 110.151 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.519 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 73.8 m -75.31 99.18 4.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.575 -0.284 . . . . 73.239999999999995 110.494 178.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 6.0 p -111.11 116.15 51.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.602 0.715 . . . . 72.310000000000002 111.411 -178.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.57 97.27 9.26 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.238 -1.023 . . . . 73.549999999999997 108.238 171.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -121.17 155.34 34.74 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.015 0.436 . . . . 73.239999999999995 110.93 -173.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.579 ' HG2' ' HB3' ' A' ' 79' ' ' ASP . 10.2 ptpp? -147.77 156.98 43.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.95 -0.568 . . . . 73.340000000000003 110.205 178.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 1.013 HD13 ' HG2' ' A' ' 43' ' ' GLU . 23.2 mt -121.68 104.92 15.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 N-CA-C 108.231 -1.025 . . . . 71.340000000000003 108.231 177.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.683 ' HB3' ' HG2' ' A' ' 77' ' ' GLU . 83.8 tttt -107.71 121.93 45.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.253 0.549 . . . . 72.239999999999995 111.23 -168.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.752 ' HA ' HG13 ' A' ' 76' ' ' VAL . 5.5 m-20 -77.83 127.35 32.26 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.994 -1.003 . . . . 63.200000000000003 110.423 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.5 mt -122.09 -177.88 3.71 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.02 -0.363 . . . . 73.420000000000002 110.02 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -86.86 102.7 14.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.87 0.367 . . . . 73.540000000000006 110.571 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.09 -3.95 73.87 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.941 -0.647 . . . . 63.009999999999998 112.219 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -164.5 177.91 7.79 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.937 -0.394 . . . . 74.409999999999997 109.937 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.759 HG22 ' HA ' ' A' ' 39' ' ' ARG . 27.4 m -140.58 153.78 21.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.302 -0.629 . . . . 71.049999999999997 109.302 174.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.683 ' HG2' ' HB3' ' A' ' 70' ' ' LYS . 13.0 pt-20 -109.12 126.7 53.48 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.609 0.719 . . . . 74.019999999999996 110.011 176.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.628 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -97.65 110.56 23.1 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.383 -0.969 . . . . 75.239999999999995 108.383 174.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.579 ' HB3' ' HG2' ' A' ' 68' ' ' LYS . 9.6 t70 -107.56 126.58 52.72 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.474 -0.785 . . . . 74.120000000000005 110.247 -175.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -139.12 135.71 34.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.385 -0.37 . . . . 65.219999999999999 110.751 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.578 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -134.11 100.64 4.77 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.237 -0.438 . . . . 73.329999999999998 109.902 175.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 29' ' ' THR . 82.0 m-85 -93.47 112.65 24.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.118 -0.492 . . . . 71.010000000000005 110.345 -177.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.519 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 63.9 m -94.76 108.91 20.92 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.637 -0.505 . . . . 74.319999999999993 109.637 175.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -89.86 168.52 11.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.842 -0.617 . . . . 71.540000000000006 110.52 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.3 p -76.56 -23.23 53.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.182 0.515 . . . . 74.409999999999997 110.711 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.483 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 63.9 m -140.51 154.2 46.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.848 -0.614 . . . . 65.209999999999994 110.088 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.424 ' HG3' ' HE3' ' A' ' 90' ' ' MET . 31.8 tt0 -69.01 -33.09 73.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.561 -0.291 . . . . 71.030000000000001 110.75 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.5 -40.08 74.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.284 -0.416 . . . . 64.109999999999999 110.808 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.483 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 6.0 mm-40 -62.71 -32.77 73.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.09 -0.505 . . . . 61.229999999999997 110.318 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.722 ' HG3' ' HB2' ' A' ' 30' ' ' SER . 59.1 ttp -69.28 -51.95 32.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.879 -0.6 . . . . 72.219999999999999 110.915 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.59 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.8 pt -68.21 -39.81 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 116.197 -0.456 . . . . 65.329999999999998 112.201 -176.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 pp -64.53 -30.59 50.64 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 C-N-CA 120.326 -0.55 . . . . 74.340000000000003 110.456 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.648 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 74.8 t80 -65.56 -51.49 59.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.65 -0.705 . . . . 74.099999999999994 110.573 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.22 -28.36 63.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 74.349999999999994 111.731 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 72.4 mt -63.24 -51.23 67.07 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.152 -0.314 . . . . 51.530000000000001 110.152 175.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.6 m -58.42 -40.99 84.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 65.049999999999997 111.404 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.9 mt -56.97 -49.51 75.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.935 0.398 . . . . 71.040000000000006 110.554 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -70.68 -31.25 68.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.009 -0.541 . . . . 74.340000000000003 111.048 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -66.38 -30.34 70.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 73.239999999999995 110.502 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.0 tt . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 116.105 -0.498 . . . . 72.420000000000002 110.481 178.685 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 p30 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.295 -0.631 . . . . 72.439999999999998 109.295 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.3 m -104.4 24.15 12.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.877 0.37 . . . . 72.010000000000005 111.424 -174.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.1 m -116.44 110.45 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.349 -0.387 . . . . 75.109999999999999 110.362 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.504 ' HB2' ' SD ' ' A' ' 90' ' ' MET . 32.2 t -98.41 116.96 31.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.947 0.404 . . . . 65.140000000000001 110.552 -178.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -103.61 112.84 25.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.96 -0.564 . . . . 61.009999999999998 109.695 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -124.65 119.13 28.13 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.964 -0.562 . . . . 73.230000000000004 110.407 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.659 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 3.8 p -128.64 111.0 12.72 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.045 0.45 . . . . 74.040000000000006 110.979 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -119.38 151.32 38.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 73.409999999999997 110.373 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.488 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 81.6 m-85 -84.44 137.09 33.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.145 -0.479 . . . . 74.129999999999995 110.597 176.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -127.73 163.28 24.67 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.656 -0.702 . . . . 75.510000000000005 109.58 176.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.75 -56.97 14.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.4 0.437 . . . . 72.209999999999994 110.877 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.9 p -123.67 160.37 27.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.468 -0.333 . . . . 73.519999999999996 110.985 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.596 ' HG3' HG23 ' A' ' 69' ' ' ILE . 41.4 ttt180 -59.91 -31.7 70.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.205 0.526 . . . . 74.230000000000004 110.106 175.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.08 -50.62 73.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.545 -0.752 . . . . 72.129999999999995 110.605 176.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -54.28 -34.76 61.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.734 -0.666 . . . . 72.319999999999993 110.896 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' A' ' 78' ' ' LEU . . . -69.42 -52.89 22.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.707 -0.678 . . . . 74.109999999999999 110.985 -177.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.95 -31.82 72.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.372 -0.377 . . . . 62.399999999999999 111.198 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.7 m -67.87 -28.76 67.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 72.209999999999994 110.985 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.461 ' O ' HD22 ' A' ' 49' ' ' LEU . 86.1 t80 -72.6 -35.05 67.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.073 0.463 . . . . 65.140000000000001 109.789 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.589 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 35.9 tpp -63.43 -40.13 96.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.688 -0.687 . . . . 75.129999999999995 111.472 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.2 m -52.53 -50.79 62.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.446 0.536 . . . . 75.129999999999995 112.446 -173.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -71.48 -28.53 63.99 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.061 -0.256 . . . . 73.239999999999995 111.183 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.461 HD22 ' O ' ' A' ' 45' ' ' PHE . 4.1 mm? -70.93 -36.16 72.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.587 -0.279 . . . . 71.299999999999997 111.03 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.589 ' HG3' ' O ' ' A' ' 46' ' ' MET . 41.1 mtpt -55.87 -48.74 75.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.926 0.393 . . . . 75.329999999999998 110.554 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.85 -41.52 82.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.553 -0.749 . . . . 72.129999999999995 110.722 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.5 mt -68.67 -43.17 76.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.693 -0.685 . . . . 74.040000000000006 110.751 -178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.22 97.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.42 -0.355 . . . . 63.25 111.18 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.06 -35.54 78.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 74.439999999999998 111.427 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.41 -29.75 24.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.441 -0.345 . . . . 72.319999999999993 111.332 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.43 -37.23 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.398 -0.365 . . . . 74.030000000000001 110.829 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.426 ' HB2' ' CD2' ' A' ' 84' ' ' PHE . 34.4 t -86.02 115.34 23.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.234 -0.439 . . . . 73.299999999999997 110.433 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.5 m -79.76 19.97 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.087 0.47 . . . . 71.299999999999997 111.395 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.24 11.68 9.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.026 -0.534 . . . . 60.240000000000002 111.643 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 73.38 -54.73 0.69 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.554 0.742 . . . . 73.230000000000004 111.461 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -90.41 29.12 1.32 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.019 -0.537 . . . . 73.010000000000005 110.698 -175.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.02 -133.06 34.04 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.991 -0.624 . . . . 53.439999999999998 112.067 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.52 178.24 7.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.852 0.358 . . . . 62.450000000000003 110.869 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.85 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 14.6 m -88.94 122.31 32.18 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.322 -0.622 . . . . 54.229999999999997 109.322 176.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.4 p -133.22 116.42 25.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.453 0.644 . . . . 74.219999999999999 111.214 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.34 122.71 38.45 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.578 -0.737 . . . . 63.439999999999998 109.517 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.506 ' HB3' ' HE3' ' A' ' 46' ' ' MET . 18.0 p90 -120.59 135.98 54.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.256 0.551 . . . . 74.349999999999994 111.056 -177.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.433 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 36.2 mtmt -113.86 165.51 12.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.501 -0.772 . . . . 72.120000000000005 109.764 174.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.596 HG23 ' HG3' ' A' ' 39' ' ' ARG . 45.4 mt -137.21 111.44 9.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 115.518 -0.764 . . . . 37.340000000000003 110.427 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -105.94 99.31 8.91 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.891 0.853 . . . . 73.439999999999998 109.488 175.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.766 ' HA ' HG13 ' A' ' 76' ' ' VAL . 5.7 p-10 -75.5 107.88 7.93 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.939 -1.482 . . . . 73.25 109.434 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.0 mt -97.88 -169.99 1.91 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.271 -0.422 . . . . 73.150000000000006 110.398 -174.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -75.96 102.4 5.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.841 -0.618 . . . . 72.010000000000005 109.375 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.9 -62.11 1.92 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.971 -0.633 . . . . 63.149999999999999 112.312 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -105.71 171.52 7.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.581 0.229 . . . . 71.219999999999999 110.695 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.766 HG13 ' HA ' ' A' ' 71' ' ' ASP . 32.9 m -130.87 154.5 40.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.626 -0.261 . . . . 74.0 110.534 177.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -109.8 115.7 30.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.776 0.322 . . . . 44.219999999999999 110.368 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.659 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.4 tm? -91.44 114.18 26.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.706 -0.85 . . . . 53.140000000000001 108.706 176.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.462 ' O ' ' HA ' ' A' ' 67' ' ' TYR . 21.4 t70 -109.33 114.6 28.42 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.078 -0.51 . . . . 75.219999999999999 110.564 -176.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.52 133.11 56.4 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.322 -0.399 . . . . 71.519999999999996 111.542 -176.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.65 107.56 15.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.781 -0.645 . . . . 70.239999999999995 110.23 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -102.34 113.29 26.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.895 -0.593 . . . . 72.150000000000006 110.577 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.85 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 28.5 m -108.19 106.2 16.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.999 0.428 . . . . 73.310000000000002 110.308 177.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.426 ' CD2' ' HB2' ' A' ' 57' ' ' SER . 45.5 m-85 -91.84 154.12 19.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.818 -0.628 . . . . 74.430000000000007 110.122 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 m -75.49 -31.97 60.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.959 0.409 . . . . 71.239999999999995 111.087 -177.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.829 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 33.3 m -124.29 144.76 49.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.041 -0.527 . . . . 75.030000000000001 109.963 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -66.66 -32.43 73.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.359 . . . . 74.200000000000003 111.218 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.32 -37.77 75.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.29 -0.414 . . . . 74.140000000000001 110.484 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.829 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 4.2 mm-40 -67.37 -31.02 70.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.672 -0.694 . . . . 72.230000000000004 110.447 -178.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.504 ' SD ' ' HB2' ' A' ' 30' ' ' SER . 49.2 tpp -65.35 -54.16 33.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.025 0.441 . . . . 73.019999999999996 110.96 -179.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.585 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.3 pt -67.08 -39.14 82.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.164 -0.471 . . . . 71.430000000000007 112.078 -176.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 pp -69.18 -29.76 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.468 -0.493 . . . . 71.129999999999995 110.551 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.577 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 50.2 t80 -62.94 -52.23 63.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.957 -0.565 . . . . 74.409999999999997 110.554 176.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 3.5 pt-20 -69.55 -31.27 69.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.601 -0.272 . . . . 75.140000000000001 111.317 -177.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 73.2 mt -61.34 -44.83 96.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.919 0.39 . . . . 71.420000000000002 110.32 176.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.0 m -66.22 -22.99 66.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.043 -0.526 . . . . 64.409999999999997 110.691 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 79.6 mt -77.83 -30.65 51.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 110.781 177.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' A' ' 94' ' ' GLU . 54.7 mtt180 -62.54 -50.94 69.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.187 -0.461 . . . . 74.019999999999996 111.436 -174.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.2 p -69.54 -28.27 65.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.112 0.482 . . . . 75.409999999999997 110.894 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.7 tt . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 115.71 -0.677 . . . . 74.120000000000005 110.066 176.046 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 p30 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 107.717 -1.216 . . . . 63.049999999999997 107.717 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.4 p -78.21 45.34 0.54 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.414 0.524 . . . . 70.219999999999999 112.414 -173.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 89.9 m -132.86 123.89 26.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.349 -0.387 . . . . 61.530000000000001 110.011 177.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 t -97.31 135.54 39.08 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.429 -0.582 . . . . 74.010000000000005 109.429 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.503 ' HZ1' ' HB1' ' A' ' 81' ' ' ALA . 29.9 mmmt -112.51 143.61 43.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.108 -0.496 . . . . 63.420000000000002 111.352 -173.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -136.2 118.81 15.97 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.936 -0.764 . . . . 73.450000000000003 108.936 169.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 9.9 m -133.47 118.19 18.06 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.852 -0.425 . . . . 64.219999999999999 109.852 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -148.94 149.9 31.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.985 0.421 . . . . 71.099999999999994 111.275 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.409 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 4.6 m-85 -85.99 118.69 25.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.738 -0.665 . . . . 74.310000000000002 109.213 175.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.466 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 66.7 m-85 -104.72 155.88 18.49 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.203 -0.295 . . . . 73.120000000000005 110.203 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.99 -47.02 86.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.982 0.42 . . . . 74.129999999999995 111.515 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.83 161.61 34.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.226 -0.443 . . . . 52.539999999999999 110.251 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 39' ' ' ARG . 22.0 ttt180 -58.28 -33.06 69.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 73.049999999999997 110.918 177.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.27 -48.74 80.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.008 -0.542 . . . . 75.150000000000006 110.789 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 38.2 mm-40 -52.85 -34.07 52.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.566 -0.743 . . . . 72.230000000000004 110.49 176.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.573 ' HB2' HD22 ' A' ' 78' ' ' LEU . . . -76.11 -52.92 9.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.198 -0.91 . . . . 65.340000000000003 111.264 -178.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.7 ' HG2' HD13 ' A' ' 69' ' ' ILE . 27.4 mt-10 -66.49 -31.94 72.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.376 -0.375 . . . . 64.329999999999998 111.646 -176.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.2 m -63.84 -35.2 79.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.728 0.299 . . . . 73.530000000000001 110.347 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.485 ' O ' HD22 ' A' ' 49' ' ' LEU . 32.2 t80 -76.51 -37.07 57.31 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.451 -0.574 . . . . 74.129999999999995 109.451 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.796 ' HA ' ' HE3' ' A' ' 46' ' ' MET . 1.7 tpt -61.81 -37.46 84.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.719 -0.673 . . . . 64.5 110.859 177.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.673 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 41.1 m -63.16 -51.39 66.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 74.040000000000006 111.579 -177.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -67.14 -28.86 68.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 73.409999999999997 111.021 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.485 HD22 ' O ' ' A' ' 45' ' ' PHE . 2.0 mm? -63.89 -34.62 78.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.412 -0.358 . . . . 74.200000000000003 110.873 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.673 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 32.0 mttt -60.96 -44.65 97.0 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.057 0.456 . . . . 71.219999999999999 110.47 176.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -65.92 -42.81 89.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.584 -0.734 . . . . 71.340000000000003 110.603 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.74 -31.72 72.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.823 -0.626 . . . . 75.340000000000003 111.35 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.98 -34.69 78.56 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.262 0.553 . . . . 75.239999999999995 110.542 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.84 -30.52 66.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.768 -0.651 . . . . 53.130000000000003 110.646 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.93 -31.28 50.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.468 -0.333 . . . . 73.109999999999999 110.972 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.63 -53.33 6.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.386 -0.37 . . . . 63.030000000000001 111.86 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.9 m -114.82 -31.11 6.23 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.976 0.361 . . . . 74.439999999999998 111.976 -175.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.1 m 70.16 -71.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.541 -0.754 . . . . 64.329999999999998 109.794 -175.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 50.16 17.3 0.31 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.471 0.915 . . . . 63.240000000000002 113.471 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 66.86 -62.32 0.3 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.416 0.687 . . . . 70.299999999999997 111.816 -176.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -85.76 -24.69 26.77 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.056 0.455 . . . . 64.450000000000003 110.494 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.03 172.95 16.99 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.884 -0.674 . . . . 60.140000000000001 111.868 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.96 152.76 36.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.597 0.237 . . . . 65.340000000000003 110.421 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.588 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 69.5 m -70.27 103.22 2.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.24 -0.436 . . . . 64.239999999999995 110.789 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.1 p -100.43 120.33 49.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.494 0.664 . . . . 74.019999999999996 111.251 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.491 ' HB1' ' HB3' ' A' ' 81' ' ' ALA . . . -105.28 99.76 9.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.179 -0.919 . . . . 72.010000000000005 108.714 172.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -111.23 150.62 29.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.043 0.449 . . . . 71.019999999999996 111.77 -172.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 79' ' ' ASP . 91.2 mttt -134.4 138.37 44.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.423 -0.808 . . . . 65.319999999999993 110.233 169.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.7 HD13 ' HG2' ' A' ' 43' ' ' GLU . 59.1 mt -128.7 103.42 9.59 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 114.417 -1.265 . . . . 75.349999999999994 108.34 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.538 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 81.4 tttt -111.08 119.06 37.75 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.038 -0.528 . . . . 74.150000000000006 111.25 -171.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.656 ' HA ' HG13 ' A' ' 76' ' ' VAL . 7.5 m-20 -82.12 108.44 15.6 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.003 -0.999 . . . . 72.430000000000007 110.229 -178.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.0 mt -104.63 -179.85 4.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.937 0.399 . . . . 61.240000000000002 109.967 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -88.67 103.84 16.31 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.065 0.459 . . . . 73.319999999999993 110.32 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.25 -5.93 65.77 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 115.728 -0.669 . . . . 72.129999999999995 112.632 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -167.05 178.72 5.56 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.756 -0.461 . . . . 72.209999999999994 109.756 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.656 HG13 ' HA ' ' A' ' 71' ' ' ASP . 27.1 m -138.74 157.25 29.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.814 0.34 . . . . 65.340000000000003 110.661 176.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 6.0 tp10 -102.6 114.53 28.83 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.809 -0.632 . . . . 71.329999999999998 109.379 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.573 HD22 ' HB2' ' A' ' 42' ' ' ALA . 3.2 tm? -102.11 114.48 28.64 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.691 -0.855 . . . . 71.310000000000002 108.691 176.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.452 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 26.9 t70 -122.43 111.52 16.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.052 -0.522 . . . . 70.099999999999994 110.706 -176.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.62 140.75 47.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.827 -0.624 . . . . 62.229999999999997 111.037 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.503 ' HB1' ' HZ1' ' A' ' 31' ' ' LYS . . . -140.29 106.91 5.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.828 -0.624 . . . . 54.509999999999998 110.149 177.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 29' ' ' THR . 78.9 m-85 -104.04 112.56 25.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.911 0.386 . . . . 72.239999999999995 110.792 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.588 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 96.8 m -91.97 122.17 34.24 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.888 -0.596 . . . . 75.319999999999993 109.861 176.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.445 ' HZ ' ' CD2' ' A' ' 93' ' ' PHE . 64.1 m-85 -107.47 -174.25 2.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.683 -0.69 . . . . 73.540000000000006 109.825 -177.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.2 m -69.87 -44.85 68.96 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.139 0.495 . . . . 62.140000000000001 110.225 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 34.8 t -148.78 179.47 7.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.428 -0.582 . . . . 74.510000000000005 109.428 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.55 ' O ' HG12 ' A' ' 91' ' ' ILE . 32.0 tt0 -75.03 -17.09 60.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.641 0.258 . . . . 72.510000000000005 111.238 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.88 -50.5 73.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.905 0.384 . . . . 63.020000000000003 110.637 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -74.74 -26.0 59.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.209 -0.451 . . . . 72.200000000000003 111.045 176.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.505 ' HB3' ' HA ' ' A' ' 87' ' ' GLN . 19.3 ttt -60.69 -56.87 16.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.193 -0.458 . . . . 70.219999999999999 111.43 177.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.7 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 17.9 pt -63.27 -44.84 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 112.086 0.402 . . . . 71.209999999999994 112.086 -174.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.507 ' HA ' HD11 ' A' ' 95' ' ' LEU . 2.8 pp -64.79 -29.72 48.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.753 0.311 . . . . 71.5 111.179 -177.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.576 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 69.2 t80 -64.7 -51.57 61.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.046 -0.524 . . . . 72.430000000000007 110.825 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -72.9 -27.54 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 73.109999999999999 111.701 -177.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 97.6 mt -56.65 -50.5 71.87 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.213 0.53 . . . . 72.430000000000007 109.594 173.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 62.1 m -62.72 -40.67 97.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.487 -0.779 . . . . 64.140000000000001 111.47 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.3 mt -53.24 -48.46 68.19 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.996 0.427 . . . . 73.120000000000005 111.233 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -77.23 -38.28 51.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.53 -0.759 . . . . 73.409999999999997 111.788 -171.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 61.6 m -74.68 -22.0 59.11 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.905 0.383 . . . . 63.409999999999997 111.62 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.5 tp . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 120.94 0.4 . . . . 75.340000000000003 111.153 -176.476 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.4 p30 . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 109.717 -0.475 . . . . 70.209999999999994 109.717 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.2 m -98.57 13.4 32.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.0 0.429 . . . . 72.120000000000005 111.838 -175.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 m -100.2 123.13 44.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.983 0.421 . . . . 63.420000000000002 109.953 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.601 ' HB3' ' HB2' ' A' ' 82' ' ' PHE . 14.0 t -98.61 105.13 17.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.789 0.328 . . . . 72.530000000000001 110.343 -176.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -101.3 121.86 42.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.975 -0.557 . . . . 73.140000000000001 110.245 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.401 ' CE2' ' HB2' ' A' ' 34' ' ' ARG . 68.0 t80 -124.3 117.55 24.78 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.242 -0.651 . . . . 71.140000000000001 109.242 174.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -125.68 106.72 9.93 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.761 -0.459 . . . . 73.219999999999999 109.761 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.401 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 1.8 tmt_? -132.51 144.63 50.57 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.753 -0.462 . . . . 73.540000000000006 109.753 -174.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 78.8 m-85 -94.86 130.5 41.43 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.277 -0.419 . . . . 74.340000000000003 109.964 178.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.46 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 80.7 m-85 -120.97 156.75 31.43 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.65 -0.25 . . . . 72.439999999999998 110.794 -178.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.75 -49.27 58.39 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.849 0.718 . . . . 72.209999999999994 112.138 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.4 p -135.26 168.5 19.07 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.601 -0.272 . . . . 74.430000000000007 110.364 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.685 ' HA ' HG23 ' A' ' 76' ' ' VAL . 20.3 ptp180 -66.26 -19.6 65.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.323 0.582 . . . . 75.409999999999997 109.511 177.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -62.61 -49.51 74.92 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.224 -0.898 . . . . 73.040000000000006 110.145 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.46 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 20.5 mm-40 -58.1 -29.66 65.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.856 -1.065 . . . . 71.239999999999995 110.944 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.586 ' HB1' HD22 ' A' ' 78' ' ' LEU . . . -68.78 -48.66 63.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.834 -0.621 . . . . 72.340000000000003 110.111 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -63.04 -38.4 91.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.76 -0.655 . . . . 74.099999999999994 110.823 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -60.83 -38.58 85.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.415 -0.357 . . . . 65.420000000000002 111.255 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.503 ' O ' HD22 ' A' ' 49' ' ' LEU . 50.5 t80 -71.89 -39.41 69.59 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.511 -0.551 . . . . 73.310000000000002 109.511 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.428 ' O ' ' HD3' ' A' ' 50' ' ' LYS . 40.3 tpp -67.7 -29.92 69.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.885 -0.598 . . . . 75.349999999999994 111.072 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.9 m -59.81 -48.48 81.5 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 120.696 0.284 . . . . 75.349999999999994 111.335 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -73.14 -27.18 61.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.13 0.491 . . . . 64.430000000000007 110.724 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.503 HD22 ' O ' ' A' ' 45' ' ' PHE . 1.2 mm? -63.26 -34.62 78.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.642 -0.708 . . . . 74.129999999999995 111.059 175.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' A' ' 46' ' ' MET . 1.8 mptm? -53.76 -49.29 68.54 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.892 0.377 . . . . 73.510000000000005 110.792 176.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -61.04 -47.51 86.07 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.624 -0.716 . . . . 73.430000000000007 110.656 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.659 HD11 HD22 ' A' ' 100' ' ' LEU . 96.7 mt -63.08 -50.09 71.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.32 -0.855 . . . . 75.109999999999999 111.496 -176.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.65 -37.58 76.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 64.299999999999997 111.238 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.75 78.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 73.329999999999998 111.556 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.38 -29.99 23.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.338 -0.392 . . . . 52.200000000000003 111.677 -177.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.49 -52.13 9.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.186 0.439 . . . . 75.120000000000005 112.186 -175.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.1 t -77.95 141.11 39.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.158 0.504 . . . . 73.0 111.395 -173.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.6 p -72.87 -11.64 60.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.575 -0.739 . . . . 62.200000000000003 110.472 175.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.96 -13.56 60.53 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.076 -0.511 . . . . 63.409999999999997 109.967 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.2 t70 72.63 -37.63 0.39 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.216 -0.902 . . . . 73.150000000000006 112.503 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -86.13 5.13 35.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.654 0.264 . . . . 75.400000000000006 111.566 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.8 8.95 60.25 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.834 -0.698 . . . . 63.520000000000003 112.97 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 83' ' ' THR . . . 64.82 -162.02 0.27 Allowed 'General case' 0 C--O 1.234 0.27 0 C-N-CA 122.665 0.386 . . . . 75.329999999999998 110.864 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.517 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 19.9 m -66.75 108.86 2.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.065 -0.346 . . . . 73.519999999999996 110.065 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -117.36 124.48 73.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.313 0.578 . . . . 61.350000000000001 111.214 -177.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.24 143.34 35.93 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.645 -0.707 . . . . 75.5 109.142 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -154.5 152.9 30.64 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.534 -0.466 . . . . 74.310000000000002 110.939 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.408 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 47.0 mtmt -131.65 160.14 36.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.759 -0.655 . . . . 74.219999999999999 110.463 175.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.4 HG12 HD22 ' A' ' 78' ' ' LEU . 63.3 mt -132.24 104.52 7.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.928 -1.033 . . . . 75.510000000000005 109.291 176.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -98.8 123.78 43.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.971 0.415 . . . . 75.549999999999997 110.039 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.65 ' HA ' HG12 ' A' ' 76' ' ' VAL . 8.1 p-10 -76.17 131.82 39.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.697 -0.683 . . . . 63.240000000000002 110.74 -177.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.5 mt -126.12 -172.78 2.69 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.468 -0.567 . . . . 65.109999999999999 109.468 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.56 106.34 16.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.057 0.456 . . . . 75.209999999999994 109.917 -179.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.67 -1.61 88.71 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.653 -0.703 . . . . 62.130000000000003 113.007 175.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -163.18 169.92 18.57 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.934 -0.395 . . . . 64.400000000000006 109.934 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.685 HG23 ' HA ' ' A' ' 39' ' ' ARG . 27.7 m -130.89 160.89 41.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.611 -0.268 . . . . 73.140000000000001 110.553 177.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -102.24 114.26 28.26 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.106 -0.497 . . . . 74.430000000000007 110.339 176.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.586 HD22 ' HB1' ' A' ' 42' ' ' ALA . 3.2 tm? -95.34 111.42 23.29 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.186 -1.042 . . . . 74.200000000000003 108.186 174.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -118.13 106.1 12.51 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.894 -0.594 . . . . 75.019999999999996 110.005 -175.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.03 134.9 50.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.105 -0.498 . . . . 72.310000000000002 111.394 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.94 110.04 13.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.601 -0.727 . . . . 53.0 110.437 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.601 ' HB2' ' HB3' ' A' ' 30' ' ' SER . 92.5 m-85 -109.92 151.84 26.57 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.755 -0.461 . . . . 75.549999999999997 109.755 176.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.517 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 37.5 m -137.5 103.88 5.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.632 -0.507 . . . . 73.349999999999994 109.632 174.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.58 ' HB3' ' HG3' ' A' ' 89' ' ' GLU . 97.7 m-85 -88.88 162.38 16.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.804 -0.635 . . . . 73.340000000000003 111.46 -171.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.3 m -69.54 -32.48 71.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.64 -0.709 . . . . 73.349999999999994 110.918 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 53.2 t -144.38 155.8 43.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.23 -0.441 . . . . 71.340000000000003 110.277 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.609 ' HA ' ' HB3' ' A' ' 90' ' ' MET . 6.0 tt0 -67.5 -21.85 65.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.383 -0.371 . . . . 73.420000000000002 110.674 177.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.46 -45.06 81.05 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.418 -0.355 . . . . 71.239999999999995 110.752 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.58 ' HG3' ' HB3' ' A' ' 84' ' ' PHE . 7.0 pt-20 -82.03 -26.0 34.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 73.349999999999994 110.722 178.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.609 ' HB3' ' HA ' ' A' ' 87' ' ' GLN . 13.3 tpt -62.48 -56.91 13.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.008 -0.542 . . . . 72.120000000000005 111.366 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 87' ' ' GLN . 24.6 pt -59.83 -45.8 94.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.457 -0.338 . . . . 75.129999999999995 111.805 -175.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.423 ' N ' HG13 ' A' ' 91' ' ' ILE . 2.8 pp -68.76 -29.65 44.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.51 0.195 . . . . 62.130000000000003 111.072 -176.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.586 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 92.6 t80 -65.8 -52.4 51.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.538 -0.301 . . . . 71.109999999999999 110.823 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -73.15 -28.74 62.4 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.892 -0.323 . . . . 70.150000000000006 111.169 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.3 mt -65.83 -46.66 77.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.929 0.395 . . . . 73.040000000000006 109.941 173.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 100' ' ' LEU . 10.9 t -66.86 -22.6 65.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.972 -0.558 . . . . 74.299999999999997 111.33 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.1 mt -62.02 -50.51 71.73 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.369 0.604 . . . . 75.420000000000002 109.949 174.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -72.28 -29.79 64.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.168 -0.924 . . . . 73.310000000000002 110.922 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.9 m -97.8 8.49 44.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.951 -0.568 . . . . 65.140000000000001 112.448 -173.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.659 HD22 HD11 ' A' ' 52' ' ' LEU . 29.7 tp . . . . . 0 C--N 1.327 -0.407 0 CA-C-O 121.351 0.596 . . . . 64.409999999999997 109.987 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 . . . . . 0 N--CA 1.456 -0.157 0 N-CA-C 109.401 -0.592 . . . . 71.129999999999995 109.401 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.6 m -83.73 -16.92 43.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.675 0.75 . . . . 63.409999999999997 109.532 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.6 m -104.41 121.48 43.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.1 -0.954 . . . . 63.329999999999998 109.93 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t -105.4 133.6 49.89 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.657 -0.497 . . . . 44.509999999999998 109.657 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 3.0 mmmp? -99.35 112.35 24.55 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.647 -0.501 . . . . 74.420000000000002 109.647 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.581 ' HE2' ' HE2' ' A' ' 45' ' ' PHE . 84.7 t80 -115.37 119.95 37.97 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.866 -0.606 . . . . 72.439999999999998 110.211 -175.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 9.4 p -115.18 139.82 49.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.552 0.692 . . . . 51.43 111.388 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -139.03 144.55 38.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.135 -0.939 . . . . 74.420000000000002 109.555 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -115.15 129.65 56.72 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.016 0.436 . . . . 71.019999999999996 110.401 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -131.73 174.02 10.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.624 -0.716 . . . . 74.109999999999999 110.561 -176.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.26 -58.01 5.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.89 -0.595 . . . . 64.329999999999998 110.857 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 49.1 p -122.86 160.47 26.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.519 -0.31 . . . . 62.409999999999997 110.543 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.723 ' HG3' HG22 ' A' ' 69' ' ' ILE . 32.7 ttt180 -55.27 -32.17 62.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.094 0.473 . . . . 71.310000000000002 110.264 175.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -54.74 -52.27 63.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.52 -0.764 . . . . 73.150000000000006 110.436 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.97 -29.05 69.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.047 -0.979 . . . . 73.010000000000005 110.555 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.51 -48.41 22.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.768 -0.651 . . . . 62.119999999999997 110.825 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.37 -25.67 66.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 73.530000000000001 110.706 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.2 m -65.05 -28.74 69.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 74.150000000000006 110.865 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.581 ' HE2' ' HE2' ' A' ' 32' ' ' PHE . 38.3 t80 -79.27 -34.78 42.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.293 0.568 . . . . 72.200000000000003 109.513 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 37.4 tpp -65.29 -36.25 83.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.514 -0.766 . . . . 75.319999999999993 111.412 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.5 m -56.17 -52.0 65.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.482 -0.327 . . . . 72.030000000000001 111.805 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -72.57 -28.74 63.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.904 0.383 . . . . 72.439999999999998 111.417 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.471 HD13 ' HZ ' ' A' ' 93' ' ' PHE . 3.4 mm? -69.94 -24.98 63.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.437 -0.347 . . . . 75.519999999999996 111.219 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -56.92 -44.09 82.06 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.053 0.454 . . . . 70.120000000000005 110.861 176.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -63.14 -44.95 94.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.63 -0.714 . . . . 71.209999999999994 110.355 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.82 -42.67 94.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.257 -0.883 . . . . 60.109999999999999 111.245 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.27 -43.11 99.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.697 0.284 . . . . 65.030000000000001 111.479 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.29 83.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.992 0.425 . . . . 75.25 110.832 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.06 -35.58 80.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.962 -0.563 . . . . 53.539999999999999 110.801 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.419 ' HB1' ' HB2' ' A' ' 93' ' ' PHE . . . -64.14 -48.82 74.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.692 -0.685 . . . . 65.319999999999993 111.128 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.576 ' HA ' ' HB3' ' A' ' 89' ' ' GLU . 9.3 t -64.45 -24.18 67.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.127 0.489 . . . . 73.349999999999994 110.066 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.1 m 66.3 8.98 6.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.452 -0.794 . . . . 53.509999999999998 111.621 174.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -101.64 19.67 17.63 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.058 -0.519 . . . . 63.229999999999997 111.396 -175.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 66.84 -73.19 0.08 Allowed 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.75 0.656 . . . . 73.200000000000003 111.372 177.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -99.51 -21.43 15.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.493 -0.776 . . . . 73.319999999999993 110.313 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.94 115.73 8.28 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.549 -0.75 . . . . 73.140000000000001 112.588 -178.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.05 124.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 122.715 0.406 . . . . 71.239999999999995 109.965 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.607 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 68.9 m -119.87 119.65 34.16 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.819 -0.437 . . . . 73.420000000000002 109.819 176.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -134.1 115.87 21.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.545 0.688 . . . . 72.25 111.278 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -108.49 96.54 6.42 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.002 -0.74 . . . . 75.239999999999995 109.002 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 38.2 p90 -106.38 135.6 47.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.392 0.615 . . . . 72.409999999999997 111.245 -175.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -111.58 139.0 47.38 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.088 -0.96 . . . . 54.009999999999998 109.401 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.723 HG22 ' HG3' ' A' ' 39' ' ' ARG . 26.4 mt -122.76 106.81 18.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.865 -0.607 . . . . 62.399999999999999 109.449 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.603 ' HB3' ' HG2' ' A' ' 77' ' ' GLU . 49.2 tptt -100.87 116.39 32.64 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.349 -0.54 . . . . 72.430000000000007 110.363 -176.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.733 ' HA ' HG13 ' A' ' 76' ' ' VAL . 4.7 m-20 -75.22 103.67 5.48 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.899 -1.046 . . . . 73.409999999999997 109.192 176.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.4 mt -97.78 -169.69 1.87 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.818 -0.628 . . . . 74.099999999999994 110.958 -173.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' A' ' 73' ' ' GLU . 5.8 pt-20 -89.85 101.55 14.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.448 -0.796 . . . . 60.32 110.687 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.01 -11.0 73.5 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.673 -0.694 . . . . 54.219999999999999 112.645 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -156.52 179.0 9.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.751 -0.463 . . . . 74.340000000000003 109.751 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.733 HG13 ' HA ' ' A' ' 71' ' ' ASP . 29.8 m -137.03 154.91 31.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 110.065 -0.346 . . . . 74.329999999999998 110.065 174.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.603 ' HG2' ' HB3' ' A' ' 70' ' ' LYS . 12.8 pt-20 -113.89 126.12 54.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.625 0.726 . . . . 73.439999999999998 110.218 174.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.514 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -97.45 107.73 20.31 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.673 -1.148 . . . . 73.450000000000003 107.923 174.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -113.57 100.08 8.23 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.531 -0.759 . . . . 73.519999999999996 109.563 -173.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -108.49 124.57 50.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.162 0.506 . . . . 53.420000000000002 111.884 -174.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.28 101.01 12.47 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.661 -0.7 . . . . 74.319999999999993 110.036 172.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -90.09 117.21 28.69 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.695 -0.483 . . . . 75.010000000000005 109.695 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.607 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 10.0 m -109.56 105.32 14.58 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.039 -0.528 . . . . 65.319999999999993 110.413 -176.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.4 ' HB3' ' HB2' ' A' ' 89' ' ' GLU . 99.2 m-85 -96.72 157.02 16.1 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.813 -0.63 . . . . 74.5 109.813 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.1 m -83.41 -16.21 46.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.211 0.529 . . . . 74.219999999999999 110.387 -177.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.575 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 21.6 m -134.19 141.24 46.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.14 -0.689 . . . . 74.0 109.14 174.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.556 ' O ' HG12 ' A' ' 91' ' ' ILE . 29.3 tt0 -65.6 -27.02 68.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.784 0.326 . . . . 71.129999999999995 110.25 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.79 77.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.93 -0.577 . . . . 74.409999999999997 110.467 175.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.576 ' HB3' ' HA ' ' A' ' 57' ' ' SER . 45.7 mt-10 -65.86 -31.75 72.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.817 -0.629 . . . . 70.439999999999998 110.32 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -72.72 -49.85 28.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.688 -0.687 . . . . 73.519999999999996 110.638 -178.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.601 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 7.6 pt -67.6 -38.63 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.16 0.43 . . . . 63.219999999999999 112.16 -176.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 pp -65.95 -30.28 49.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 121.059 0.457 . . . . 71.439999999999998 110.144 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.567 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 53.9 t80 -68.91 -50.5 49.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.532 -0.758 . . . . 73.409999999999997 109.808 175.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.589 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 77.2 mm-40 -56.71 -38.34 72.19 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.578 -0.737 . . . . 73.099999999999994 112.08 178.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 82.9 mt -59.92 -53.46 57.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.657 -0.247 . . . . 72.200000000000003 110.992 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.1 m -60.72 -34.52 74.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.578 -0.283 . . . . 73.0 110.931 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 74.7 mt -63.09 -40.83 98.81 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.966 0.412 . . . . 74.049999999999997 110.663 177.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.589 ' NH1' ' HB3' ' A' ' 94' ' ' GLU . 48.5 mtt85 -67.95 -40.73 83.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.915 -0.584 . . . . 75.439999999999998 111.049 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.0 m -64.59 -34.67 78.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.003 0.43 . . . . 64.439999999999998 110.935 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.5 tp . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.109 0.481 . . . . 74.420000000000002 110.58 179.563 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.449 ' C ' HD21 ' A' ' 27' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.528 -0.545 . . . . 63.229999999999997 109.528 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 67.1 m -104.97 13.25 31.3 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.033 0.444 . . . . 73.0 110.474 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.525 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 34.7 m -105.59 120.34 41.41 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.743 -0.662 . . . . 65.150000000000006 110.478 177.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.544 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 38.0 t -98.04 125.37 42.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.849 0.357 . . . . 71.5 110.383 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -100.57 112.02 24.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.766 -0.652 . . . . 62.310000000000002 109.585 174.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -120.58 117.89 28.77 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.038 -0.528 . . . . 74.310000000000002 110.116 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -115.24 113.38 23.81 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.183 -0.462 . . . . 74.150000000000006 109.909 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' A' ' 35' ' ' PHE . 1.5 tmt_? -123.23 134.94 54.08 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.423 -0.584 . . . . 73.040000000000006 109.423 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.413 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 78.2 m-85 -92.59 128.73 38.55 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.81 -0.632 . . . . 72.420000000000002 110.379 -178.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -121.14 169.06 10.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.249 -0.432 . . . . 75.140000000000001 110.323 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.58 -57.9 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.36 -0.382 . . . . 74.340000000000003 111.135 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.0 p -120.75 165.1 15.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.374 -0.376 . . . . 73.099999999999994 111.401 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -66.37 -21.97 66.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.439 0.638 . . . . 75.420000000000002 109.616 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -67.59 -45.67 74.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.302 -0.863 . . . . 71.329999999999998 109.88 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.99 -28.24 66.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.296 -0.865 . . . . 71.109999999999999 110.606 175.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.538 ' HB1' HD21 ' A' ' 78' ' ' LEU . . . -74.04 -51.41 15.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.835 -0.621 . . . . 71.030000000000001 110.82 -179.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.54 -36.67 83.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.044 -0.526 . . . . 70.209999999999994 111.165 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.9 m -65.71 -28.4 69.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.227 -0.442 . . . . 75.109999999999999 111.022 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.404 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 76.2 t80 -79.76 -44.62 20.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.952 0.405 . . . . 72.319999999999993 110.032 178.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 34.8 tpp -69.12 -39.13 79.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.937 -0.574 . . . . 71.120000000000005 111.863 -175.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 54.9 m -60.15 -44.79 94.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.587 0.232 . . . . 73.310000000000002 111.498 -178.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -74.22 -26.79 60.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.822 0.344 . . . . 55.450000000000003 110.39 177.44 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.406 HD12 HD12 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -61.75 -29.66 70.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.407 -0.36 . . . . 64.200000000000003 110.737 175.042 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 47' ' ' THR . 2.2 mptm? -60.4 -34.66 74.23 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.259 -0.428 . . . . 71.340000000000003 110.66 175.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.52 -43.14 90.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.299 0.571 . . . . 61.310000000000002 110.139 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.642 HD13 HD12 ' A' ' 100' ' ' LEU . 92.1 mt -62.66 -50.17 72.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.348 -0.842 . . . . 61.530000000000001 111.074 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.32 92.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 60.43 111.467 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.413 ' HA ' ' HA3' ' A' ' 62' ' ' GLY . . . -61.57 -42.31 98.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 74.540000000000006 111.384 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.67 -26.83 37.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.253 -0.43 . . . . 73.120000000000005 111.342 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.14 -53.43 11.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.35 -0.386 . . . . 72.5 111.262 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.502 ' HB3' ' HA2' ' A' ' 62' ' ' GLY . 48.3 t -88.17 -66.46 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.458 -0.337 . . . . 71.409999999999997 110.865 -177.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m 68.28 16.64 9.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.444 -0.798 . . . . 53.130000000000003 112.084 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.95 -78.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.689 0.281 . . . . 51.310000000000002 110.818 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -100.19 -62.1 1.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.403 0.62 . . . . 72.140000000000001 109.536 173.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -125.56 -19.69 4.92 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.123 -0.944 . . . . 75.329999999999998 109.104 173.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.502 ' HA2' ' HB3' ' A' ' 57' ' ' SER . . . 137.09 71.61 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.509 -0.853 . . . . 64.340000000000003 112.434 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 63.84 -173.6 0.17 Allowed 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 122.857 0.463 . . . . 74.540000000000006 111.623 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.9 m -110.19 122.66 48.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.834 -0.621 . . . . 61.030000000000001 109.86 176.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.411 HG13 ' HE2' ' A' ' 50' ' ' LYS . 4.7 p -107.2 117.31 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.653 0.74 . . . . 61.030000000000001 111.814 -178.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.85 98.81 6.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.301 -0.863 . . . . 64.0 109.242 172.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -121.19 158.55 27.78 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.712 -0.395 . . . . 75.129999999999995 110.448 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -135.87 162.94 31.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.808 -0.633 . . . . 75.019999999999996 111.317 174.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.2 mt -127.57 104.94 13.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.613 -1.176 . . . . 73.219999999999999 108.981 175.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.729 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 88.3 tttt -92.86 118.38 31.06 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.059 0.457 . . . . 61.130000000000003 110.082 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -77.12 106.8 9.06 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.162 -0.926 . . . . 74.340000000000003 109.501 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 94.7 mt -101.33 -174.62 2.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.238 -0.437 . . . . 75.349999999999994 110.57 -176.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -94.95 99.6 11.59 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.098 0.475 . . . . 73.329999999999998 110.393 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.3 6.55 68.54 Favored Glycine 0 CA--C 1.515 0.085 0 CA-C-N 115.762 -0.654 . . . . 75.219999999999999 112.419 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 18.9 pt20 -170.79 179.47 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.328 -0.619 . . . . 74.25 109.328 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.9 m -137.41 154.81 30.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.844 0.354 . . . . 73.239999999999995 110.443 175.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.729 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 28.7 tt0 -104.56 113.47 27.06 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.931 -0.577 . . . . 75.329999999999998 110.014 177.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.538 HD21 ' HB1' ' A' ' 42' ' ' ALA . 3.1 tm? -93.43 109.1 20.68 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.146 -1.057 . . . . 60.030000000000001 108.146 174.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -113.17 112.02 23.08 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.723 -0.671 . . . . 75.439999999999998 110.029 -173.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.47 136.32 52.11 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.916 0.389 . . . . 73.239999999999995 111.473 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.544 ' HA ' ' O ' ' A' ' 30' ' ' SER . . . -129.39 106.82 9.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.794 -0.639 . . . . 71.120000000000005 109.815 172.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.525 ' O ' ' HA ' ' A' ' 29' ' ' THR . 91.4 m-85 -105.56 116.39 31.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.953 -0.567 . . . . 75.329999999999998 110.475 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.6 m -97.58 107.57 20.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.207 -0.451 . . . . 74.209999999999994 110.278 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -90.76 171.76 9.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.96 -0.564 . . . . 72.140000000000001 110.53 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.71 -46.83 43.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.406 0.622 . . . . 64.030000000000001 109.852 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 81.5 m -134.35 158.97 42.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.445 -0.798 . . . . 74.510000000000005 109.791 175.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.475 ' O ' HG12 ' A' ' 91' ' ' ILE . 26.0 tt0 -60.55 -23.21 64.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.376 -0.375 . . . . 73.409999999999997 111.818 -177.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.63 74.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.816 0.341 . . . . 54.299999999999997 111.135 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -73.16 -28.69 62.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 71.340000000000003 110.65 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.403 ' HE1' ' HG3' ' A' ' 87' ' ' GLN . 56.8 ttp -75.26 -46.62 32.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 64.329999999999998 110.852 -177.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.501 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 16.4 pt -63.98 -40.86 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.482 -0.326 . . . . 74.200000000000003 111.841 -178.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 44.0 pt -66.59 -31.55 54.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.975 0.417 . . . . 63.509999999999998 110.492 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.586 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 79.1 t80 -67.61 -47.91 68.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.795 -0.638 . . . . 71.439999999999998 110.109 178.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -56.38 -44.31 80.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.555 . . . . 72.049999999999997 111.191 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 86.8 mt -62.25 -45.59 92.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 73.439999999999998 110.503 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.8 m -61.84 -32.8 73.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.04 -0.527 . . . . 75.219999999999999 111.303 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 93.8 mt -61.87 -47.01 86.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.022 0.439 . . . . 75.239999999999995 110.503 176.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -65.54 -39.71 92.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.901 -0.59 . . . . 74.400000000000006 110.439 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.9 m -71.41 -10.21 59.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 75.439999999999998 111.677 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.642 HD12 HD13 ' A' ' 52' ' ' LEU . 10.1 tt . . . . . 0 C--N 1.325 -0.462 0 CA-C-O 120.836 0.35 . . . . 74.530000000000001 110.125 178.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 109.486 -0.561 . . . . 70.450000000000003 109.486 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.5 m -104.59 66.02 0.78 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.221 0.534 . . . . 74.140000000000001 109.637 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 89.8 m -144.38 126.48 15.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.717 -0.674 . . . . 73.530000000000001 111.753 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.1 m -96.92 105.41 17.55 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.107 -0.951 . . . . 73.319999999999993 109.513 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.608 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -98.67 113.99 26.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.877 0.846 . . . . 74.200000000000003 109.77 178.439 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -116.15 118.1 31.9 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.659 -1.155 . . . . 64.299999999999997 110.522 -176.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 5.7 m -118.79 118.12 30.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.065 -0.516 . . . . 74.209999999999994 109.924 177.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.405 ' HD3' ' N ' ' A' ' 35' ' ' PHE . 2.3 tmt_? -142.81 141.96 31.76 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.501 -0.555 . . . . 71.420000000000002 109.501 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.405 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 92.5 m-85 -88.08 136.25 33.06 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.177 -0.465 . . . . 72.549999999999997 109.994 -178.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.516 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 64.9 m-85 -123.99 164.03 20.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.677 -0.238 . . . . 74.530000000000001 110.591 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.579 ' O ' ' HA ' ' A' ' 75' ' ' GLN . . . -56.21 -50.04 72.37 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.74 0.65 . . . . 73.450000000000003 112.107 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.1 p -140.86 170.92 14.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.423 -0.353 . . . . 71.519999999999996 110.635 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.454 ' HA ' HG22 ' A' ' 76' ' ' VAL . 19.3 ptt180 -58.95 -28.37 66.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.156 0.503 . . . . 72.5 110.105 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.47 -44.94 95.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.586 -0.734 . . . . 62.200000000000003 110.977 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 51.8 mm-40 -60.41 -28.83 68.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.189 -0.914 . . . . 75.420000000000002 110.592 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.687 ' HB3' HD21 ' A' ' 78' ' ' LEU . . . -70.43 -50.81 34.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.767 -0.651 . . . . 61.009999999999998 110.291 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.57 -35.34 75.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.882 -0.599 . . . . 71.209999999999994 110.721 175.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.6 m -65.05 -28.53 69.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.602 -0.726 . . . . 75.25 111.708 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.487 ' O ' HD21 ' A' ' 49' ' ' LEU . 56.2 t80 -85.52 -29.75 23.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.128 0.489 . . . . 73.200000000000003 110.08 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.619 ' HG3' ' HE3' ' A' ' 50' ' ' LYS . 32.5 tpp -73.03 -41.12 64.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.738 -0.664 . . . . 73.439999999999998 112.071 -173.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.869 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 18.9 m -53.35 -56.0 20.32 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.386 0.513 . . . . 74.409999999999997 112.386 -174.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -67.96 -27.42 66.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.888 0.375 . . . . 53.439999999999998 111.629 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.487 HD21 ' O ' ' A' ' 45' ' ' PHE . 3.5 mm? -70.88 -29.04 65.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.523 -0.308 . . . . 73.25 111.132 177.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.869 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 34.1 mttt -59.1 -42.31 90.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.027 0.441 . . . . 73.340000000000003 110.676 175.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.68 -41.45 95.13 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.555 -0.748 . . . . 65.219999999999999 110.051 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.88 -44.7 65.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.298 -0.864 . . . . 73.230000000000004 111.325 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.38 97.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 73.409999999999997 111.841 -176.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.28 90.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.969 0.414 . . . . 74.129999999999995 111.251 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.05 -17.54 59.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.024 -0.535 . . . . 65.120000000000005 111.277 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.01 -36.7 80.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.186 -0.461 . . . . 63.140000000000001 111.207 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.549 ' HB2' ' HA2' ' A' ' 62' ' ' GLY . 46.5 m -102.64 -25.75 13.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.637 0.256 . . . . 64.430000000000007 111.312 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.4 m 70.02 -17.51 0.25 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.093 0.775 . . . . 70.120000000000005 113.093 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.403 ' H ' ' C ' ' A' ' 57' ' ' SER . . . -78.28 71.47 4.75 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.223 -0.298 . . . . 70.530000000000001 111.533 -177.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 59.04 -85.42 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.686 0.795 . . . . 74.200000000000003 112.348 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -82.77 -20.9 34.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.604 -0.725 . . . . 63.130000000000003 110.329 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.549 ' HA2' ' HB2' ' A' ' 57' ' ' SER . . . 89.41 -99.07 2.52 Favored Glycine 0 N--CA 1.441 -0.994 0 N-CA-C 109.634 -1.386 . . . . 72.420000000000002 109.634 -169.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 83' ' ' THR . . . -167.36 -168.54 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.553 -0.165 . . . . 55.329999999999998 110.553 173.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.421 ' HB2' ' OG1' ' A' ' 83' ' ' THR . 67.7 m -56.39 125.07 20.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.643 0.608 . . . . 53.549999999999997 112.643 -174.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 p -123.45 115.25 44.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.543 0.687 . . . . 73.340000000000003 109.619 172.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.07 115.34 15.66 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.554 -0.748 . . . . 73.420000000000002 109.592 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.536 ' HA ' ' O ' ' A' ' 79' ' ' ASP . 45.4 p90 -124.35 138.33 54.39 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.321 0.581 . . . . 73.030000000000001 111.037 -179.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.491 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 37.7 mtmt -105.86 148.21 27.84 Favored 'General case' 0 CA--C 1.501 -0.908 0 CA-C-N 115.32 -0.855 . . . . 72.109999999999999 109.823 176.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 60.9 mt -122.98 102.21 11.06 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 N-CA-C 107.821 -1.177 . . . . 61.539999999999999 107.821 170.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -89.2 118.37 28.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.241 0.543 . . . . 64.439999999999998 110.205 -176.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -68.32 112.14 5.02 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.778 -1.101 . . . . 72.219999999999999 110.209 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 78.6 mt -116.35 179.1 4.09 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.716 -0.476 . . . . 75.299999999999997 109.716 175.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -87.48 106.04 17.71 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.282 -0.417 . . . . 71.129999999999995 109.882 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.55 -2.45 84.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.533 -0.842 . . . . 52.100000000000001 112.481 175.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.579 ' HA ' ' O ' ' A' ' 37' ' ' ALA . 20.2 pt20 -165.66 178.13 6.85 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.841 -0.429 . . . . 75.519999999999996 109.841 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.454 HG22 ' HA ' ' A' ' 39' ' ' ARG . 27.4 m -141.61 162.13 20.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.822 0.344 . . . . 71.150000000000006 110.879 176.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -105.37 117.4 33.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.077 -0.511 . . . . 75.299999999999997 109.725 173.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.687 HD21 ' HB3' ' A' ' 42' ' ' ALA . 3.3 tm? -96.53 113.92 25.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.897 -0.779 . . . . 74.400000000000006 108.897 175.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.536 ' O ' ' HA ' ' A' ' 67' ' ' TYR . 11.0 t70 -120.98 106.39 11.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.742 -0.663 . . . . 74.519999999999996 110.036 -176.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.83 124.13 47.6 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.784 0.326 . . . . 75.120000000000005 111.561 -176.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.57 102.97 12.0 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.817 -0.438 . . . . 71.219999999999999 109.817 175.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 29' ' ' THR . 87.9 m-85 -94.09 126.68 39.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.429 -0.351 . . . . 74.530000000000001 110.259 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.703 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 21.5 m -96.84 146.75 24.62 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.611 -0.515 . . . . 74.230000000000004 109.611 178.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.693 ' HB3' ' HB2' ' A' ' 89' ' ' GLU . 93.5 m-85 -124.2 147.35 48.08 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.222 -0.288 . . . . 74.409999999999997 110.222 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.3 m -65.51 -30.2 70.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.126 -0.488 . . . . 75.209999999999994 110.86 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.637 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 33.5 m -136.09 162.66 32.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.026 -0.534 . . . . 75.030000000000001 109.906 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.563 ' O ' ' HB3' ' A' ' 90' ' ' MET . 29.1 tt0 -75.75 -26.1 57.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.977 0.418 . . . . 75.010000000000005 110.045 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.59 88.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 63.109999999999999 110.082 173.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.693 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 1.3 mm-40 -62.79 -38.39 90.46 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.952 -0.567 . . . . 63.409999999999997 109.582 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.563 ' HB3' ' O ' ' A' ' 87' ' ' GLN . 11.5 tpt -54.05 -58.62 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.131 -0.941 . . . . 74.340000000000003 111.16 177.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.506 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.4 pt -70.91 -37.23 67.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.898 0.703 . . . . 73.120000000000005 112.898 -173.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 pp -67.02 -30.61 50.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 120.472 -0.491 . . . . 70.25 110.683 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.561 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 69.5 t80 -67.97 -47.81 67.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.733 -0.469 . . . . 73.150000000000006 109.733 175.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.553 ' O ' ' HD3' ' A' ' 98' ' ' ARG . 6.8 mm-40 -56.18 -47.71 77.78 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.673 -0.694 . . . . 73.140000000000001 110.875 176.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 98.1 mt -55.04 -45.15 75.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.182 0.515 . . . . 71.120000000000005 110.881 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.8 m -64.72 -38.58 91.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.682 -0.69 . . . . 75.219999999999999 111.357 -177.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 71.0 mt -63.04 -40.01 96.45 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.999 0.428 . . . . 75.540000000000006 111.099 -179.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.553 ' HD3' ' O ' ' A' ' 94' ' ' GLU . 9.7 mpt_? -74.79 -30.56 61.47 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.023 -0.535 . . . . 71.430000000000007 110.103 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.7 m -75.66 -0.74 21.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.149 0.499 . . . . 64.219999999999999 110.585 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.6 tt . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.826 -0.624 . . . . 60.310000000000002 110.592 -177.668 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.419 ' HB3' ' H ' ' A' ' 28' ' ' CYS . 49.6 m-80 . . . . . 0 CA--C 1.522 -0.129 0 N-CA-C 108.603 -0.888 . . . . 73.299999999999997 108.603 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.419 ' H ' ' HB3' ' A' ' 27' ' ' ASN . 53.9 m -111.03 3.91 19.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.383 0.611 . . . . 62.020000000000003 109.739 173.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.7 m -116.44 121.14 40.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.488 -0.778 . . . . 75.340000000000003 109.961 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.829 ' HB2' ' HG3' ' A' ' 90' ' ' MET . 11.6 t -104.17 127.55 51.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.986 0.422 . . . . 61.439999999999998 110.573 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -98.93 127.94 44.97 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.993 -0.549 . . . . 73.049999999999997 109.741 175.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -119.86 118.7 31.46 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.675 -0.491 . . . . 73.510000000000005 109.675 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m -128.57 116.66 19.99 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.134 -0.321 . . . . 62.119999999999997 110.134 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -137.89 142.62 40.66 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.092 -0.336 . . . . 72.109999999999999 110.092 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -91.03 144.29 25.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.419 -0.355 . . . . 73.540000000000006 110.665 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.427 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 89.4 m-85 -132.96 157.3 45.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.335 -0.393 . . . . 74.109999999999999 110.678 178.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.26 83.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 71.409999999999997 111.411 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -120.14 154.13 35.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.198 -0.455 . . . . 42.009999999999998 110.064 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.711 ' HA ' HG22 ' A' ' 76' ' ' VAL . 69.5 ttt-85 -58.87 -35.28 72.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.348 0.594 . . . . 74.030000000000001 110.356 175.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.55 -38.27 86.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.349 -0.841 . . . . 71.200000000000003 111.543 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 30.6 mm-40 -55.33 -33.03 62.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.188 -0.915 . . . . 64.030000000000001 110.771 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.478 ' HB3' HD21 ' A' ' 78' ' ' LEU . . . -76.26 -43.35 42.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.663 -0.698 . . . . 64.340000000000003 110.353 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -58.88 -47.86 83.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.736 -0.666 . . . . 72.120000000000005 110.38 178.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -64.15 -30.59 71.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.582 -0.735 . . . . 71.120000000000005 111.37 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.538 ' O ' HD21 ' A' ' 49' ' ' LEU . 38.1 t80 -75.96 -37.32 58.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.991 0.424 . . . . 72.420000000000002 110.233 -177.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.586 ' HE1' ' HB1' ' A' ' 80' ' ' ALA . 42.6 tpp -64.54 -26.24 68.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.063 -0.517 . . . . 71.109999999999999 111.107 -179.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.409 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 6.4 m -59.56 -48.54 81.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.392 -0.367 . . . . 70.430000000000007 111.642 -177.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -72.83 -28.35 62.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.83 0.348 . . . . 74.409999999999997 110.887 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.538 HD21 ' O ' ' A' ' 45' ' ' PHE . 3.7 mm? -62.56 -39.43 93.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.039 -0.528 . . . . 74.349999999999994 110.672 176.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 42.0 mttt -59.34 -47.65 84.62 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.403 -0.362 . . . . 74.129999999999995 111.305 177.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -59.51 -45.81 90.66 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.189 -0.46 . . . . 72.150000000000006 110.948 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.503 HD11 HD22 ' A' ' 97' ' ' LEU . 98.6 mt -64.73 -40.12 94.8 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.542 -0.754 . . . . 74.409999999999997 111.193 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.12 93.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.712 0.291 . . . . 75.099999999999994 110.99 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.28 -30.75 71.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 72.409999999999997 111.336 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.69 -28.73 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.424 -0.353 . . . . 71.129999999999995 111.245 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.27 -43.04 22.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 52.100000000000001 111.889 -177.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 p -72.89 130.66 40.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.223 0.535 . . . . 60.210000000000001 110.844 -177.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.3 m -106.98 18.63 21.55 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.486 0.66 . . . . 72.430000000000007 110.089 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.27 8.67 15.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.398 -0.819 . . . . 65.310000000000002 111.631 -177.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 70.13 -71.58 0.12 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.489 0.716 . . . . 61.0 112.59 174.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.41 -34.61 78.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.889 0.376 . . . . 75.409999999999997 111.011 -176.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.0 -152.65 24.78 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.879 -0.677 . . . . 55.399999999999999 111.797 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.96 157.36 43.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.824 -0.435 . . . . 72.310000000000002 109.824 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.93 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 66.7 m -73.83 106.81 5.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.457 -0.338 . . . . 63.149999999999999 110.464 178.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.521 HG22 ' HD2' ' A' ' 67' ' ' TYR . 4.0 p -116.0 115.72 50.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 121.402 0.62 . . . . 72.409999999999997 110.847 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 81' ' ' ALA . . . -100.09 96.74 7.71 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.775 -0.648 . . . . 61.219999999999999 109.673 175.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.521 ' HD2' HG22 ' A' ' 65' ' ' VAL . 4.9 p90 -99.34 120.08 38.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.213 0.53 . . . . 74.209999999999994 111.13 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -128.14 148.47 50.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.69 -0.686 . . . . 74.420000000000002 110.593 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.487 HG12 HD21 ' A' ' 78' ' ' LEU . 60.2 mt -131.9 105.39 9.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.109 -0.95 . . . . 60.399999999999999 109.103 177.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -86.79 115.99 24.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.605 0.717 . . . . 75.519999999999996 110.495 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.653 ' HA ' HG12 ' A' ' 76' ' ' VAL . 7.0 p-10 -80.11 105.36 11.33 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.265 -1.334 . . . . 72.530000000000001 110.119 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 72.4 mt -107.32 -174.53 2.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.72 -0.673 . . . . 73.510000000000005 110.182 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -87.87 104.78 16.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.997 0.427 . . . . 53.539999999999999 110.779 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.79 -17.75 58.72 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.914 -0.66 . . . . 74.219999999999999 112.643 175.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 14.2 pt20 -158.69 172.0 19.06 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.148 -0.316 . . . . 70.109999999999999 110.148 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.711 HG22 ' HA ' ' A' ' 39' ' ' ARG . 27.1 m -134.81 164.11 34.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.806 0.336 . . . . 73.230000000000004 110.872 178.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -116.9 117.2 29.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.925 -0.58 . . . . 72.540000000000006 110.11 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.487 HD21 HG12 ' A' ' 69' ' ' ILE . 3.2 tm? -89.13 113.67 24.86 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.191 -1.04 . . . . 52.43 108.191 174.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -126.96 119.57 27.02 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.764 -0.653 . . . . 73.200000000000003 110.409 -174.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.586 ' HB1' ' HE1' ' A' ' 46' ' ' MET . . . -130.32 133.15 46.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.18 0.514 . . . . 63.32 111.462 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.527 ' HB3' ' HB1' ' A' ' 66' ' ' ALA . . . -109.0 108.16 18.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.567 -0.742 . . . . 50.520000000000003 110.063 174.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -97.9 112.78 24.57 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.392 -0.367 . . . . 71.230000000000004 110.193 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.93 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 11.7 m -102.85 105.83 16.29 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.106 -0.497 . . . . 74.219999999999999 110.261 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -95.46 -168.57 1.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.23 -0.441 . . . . 74.420000000000002 110.418 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.8 m -99.49 -43.58 6.48 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.328 -0.619 . . . . 61.509999999999998 109.328 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 34.2 m -116.65 148.65 40.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.21 -0.905 . . . . 64.439999999999998 110.108 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.555 ' O ' HG12 ' A' ' 91' ' ' ILE . 27.1 tt0 -61.07 -31.23 70.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.25 -0.432 . . . . 75.219999999999999 110.47 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.54 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -52.78 -46.33 67.53 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.891 -0.595 . . . . 37.229999999999997 110.861 176.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.99 -35.93 82.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.349 -0.387 . . . . 65.010000000000005 110.569 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.829 ' HG3' ' HB2' ' A' ' 30' ' ' SER . 20.6 ttt -64.11 -57.86 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.828 -0.624 . . . . 72.319999999999993 110.823 178.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 87' ' ' GLN . 19.2 pt -65.37 -39.6 85.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.407 0.521 . . . . 73.319999999999993 112.407 -174.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 88' ' ' ALA . 40.1 pt -65.36 -30.99 51.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 120.747 -0.381 . . . . 75.0 110.479 179.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.539 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 75.1 t80 -67.89 -51.6 46.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.961 -0.563 . . . . 75.439999999999998 110.889 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.428 ' HA ' HD11 ' A' ' 97' ' ' LEU . 7.1 pt-20 -73.83 -27.61 61.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.588 -0.278 . . . . 74.120000000000005 111.711 -176.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 80.5 mt -68.99 -42.27 76.72 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.9 -0.407 . . . . 71.099999999999994 109.9 173.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.6 t -60.82 -36.78 79.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.009 -0.542 . . . . 73.439999999999998 110.6 176.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 94.1 mt -53.73 -48.94 69.14 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.959 0.409 . . . . 70.5 110.599 176.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -65.89 -39.3 90.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.772 -0.649 . . . . 73.409999999999997 110.974 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.8 t -64.68 -42.54 95.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 52.030000000000001 110.827 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.4 tp . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.335 -0.393 . . . . 74.310000000000002 110.69 -179.219 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.522 -0.104 0 N-CA-C 110.458 -0.201 . . . . 73.430000000000007 110.458 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.632 ' HA ' ' HE3' ' A' ' 90' ' ' MET . 75.4 m -102.6 14.75 31.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.994 0.426 . . . . 74.439999999999998 111.572 -177.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.9 m -106.44 131.21 53.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.292 -0.413 . . . . 71.510000000000005 110.219 176.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 24.8 t -97.98 116.23 29.78 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.655 -0.498 . . . . 72.439999999999998 109.655 178.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.58 113.17 25.42 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.668 -0.493 . . . . 74.129999999999995 109.668 177.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.462 ' HE2' ' HE2' ' A' ' 45' ' ' PHE . 65.1 t80 -121.28 118.63 30.03 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.026 -0.534 . . . . 74.239999999999995 110.197 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -122.95 131.14 53.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.966 -0.561 . . . . 53.539999999999999 110.478 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 34' ' ' ARG . 7.9 mmt85 -137.59 154.59 49.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.299 -0.41 . . . . 73.319999999999993 111.619 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -107.27 135.05 49.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.165 -0.471 . . . . 74.450000000000003 110.011 176.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -132.68 168.25 18.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.313 -0.403 . . . . 72.120000000000005 110.498 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.89 -56.82 7.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.072 0.463 . . . . 63.399999999999999 111.031 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.538 ' OG1' ' HG2' ' A' ' 41' ' ' GLU . 79.6 p -124.3 166.43 15.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.044 -0.525 . . . . 73.120000000000005 110.434 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.725 ' HG3' HG23 ' A' ' 69' ' ' ILE . 26.5 ttt85 -64.32 -29.41 70.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.118 0.485 . . . . 73.310000000000002 109.913 177.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -58.74 -47.45 84.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.341 -0.845 . . . . 74.420000000000002 110.546 175.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.538 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 42.2 mm-40 -60.03 -29.31 68.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.041 -0.981 . . . . 73.140000000000001 110.948 178.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.95 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.851 -0.613 . . . . 74.439999999999998 110.767 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -63.57 -34.58 78.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 72.409999999999997 110.2 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.1 t -59.77 -38.81 82.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.498 -0.773 . . . . 74.450000000000003 110.499 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.462 ' HE2' ' HE2' ' A' ' 32' ' ' PHE . 5.9 t80 -80.04 -28.97 39.22 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.954 0.407 . . . . 74.129999999999995 110.14 -176.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.466 ' HE2' ' HB3' ' A' ' 80' ' ' ALA . 42.6 tpp -68.19 -30.45 69.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 71.25 110.191 176.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -62.71 -47.54 83.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 73.430000000000007 110.723 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.0 ptmt -73.36 -28.16 61.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.521 -0.309 . . . . 75.519999999999996 111.06 178.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -39.11 88.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.75 0.309 . . . . 74.239999999999995 110.188 176.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -60.16 -40.98 91.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 70.0 110.996 174.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -64.72 -44.49 90.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 73.430000000000007 110.384 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 96.8 mt -61.49 -42.51 98.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 73.030000000000001 110.686 178.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.26 96.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 74.329999999999998 111.034 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.57 98.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 72.5 111.12 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.67 77.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.516 . . . . 70.319999999999993 111.154 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.16 -51.97 18.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.002 -0.544 . . . . 53.200000000000003 111.466 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.8 p -63.83 131.49 47.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.703 0.764 . . . . 72.150000000000006 111.326 -175.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.0 m -121.81 -9.7 8.79 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.171 -0.922 . . . . 70.430000000000007 109.205 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.536 ' CB ' ' HB2' ' A' ' 85' ' ' SER . . . -64.84 -59.97 3.61 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.903 -1.044 . . . . 72.329999999999998 112.301 -177.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -137.4 -87.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.483 -0.487 . . . . 74.120000000000005 112.158 -175.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -127.96 -23.16 3.39 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.564 0.697 . . . . 74.420000000000002 109.352 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 179.03 -139.93 4.18 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.174 -0.921 . . . . 62.450000000000003 112.146 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -145.13 160.52 41.3 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.373 -0.232 . . . . 75.150000000000006 110.373 -176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.572 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 49.0 m -69.94 108.78 4.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.254 -0.43 . . . . 61.5 110.016 176.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.485 HG21 ' HD1' ' A' ' 67' ' ' TYR . 3.9 p -100.8 115.95 43.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.542 0.687 . . . . 74.430000000000007 111.299 -177.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.05 105.93 11.92 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.478 -0.783 . . . . 52.43 109.146 173.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.485 ' HD1' HG21 ' A' ' 65' ' ' VAL . 42.3 p90 -132.19 159.26 39.5 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.328 -0.397 . . . . 72.430000000000007 111.067 -174.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.431 ' CD ' ' HB3' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -134.86 148.58 50.16 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.156 0.503 . . . . 73.140000000000001 109.798 170.425 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.725 HG23 ' HG3' ' A' ' 39' ' ' ARG . 45.4 mt -112.09 104.75 17.55 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 108.165 -1.05 . . . . 64.239999999999995 108.165 173.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -92.5 120.2 32.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.255 0.55 . . . . 73.319999999999993 110.781 -175.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.548 ' HA ' HG12 ' A' ' 76' ' ' VAL . 12.5 m-20 -77.82 94.25 4.48 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.833 -1.076 . . . . 72.319999999999993 108.622 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 95.9 mt -88.3 -167.41 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.232 0.539 . . . . 73.420000000000002 111.007 -174.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -93.89 97.02 10.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.695 -0.684 . . . . 75.129999999999995 110.725 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.58 -6.28 77.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.979 -0.629 . . . . 50.32 112.409 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.433 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 9.7 pt20 -160.71 -178.36 6.81 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.104 -0.702 . . . . 73.400000000000006 109.104 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 71' ' ' ASP . 35.7 m -133.49 157.18 42.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.636 0.255 . . . . 74.349999999999994 110.755 176.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -112.58 119.98 40.0 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.171 -0.468 . . . . 73.329999999999998 109.948 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.55 HD21 HG12 ' A' ' 69' ' ' ILE . 3.4 tm? -98.56 111.94 24.14 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.192 -1.04 . . . . 71.209999999999994 108.192 175.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.431 ' HB3' ' CD ' ' A' ' 68' ' ' LYS . 21.5 t70 -125.78 114.52 18.71 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.331 -0.395 . . . . 70.010000000000005 110.338 -176.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.466 ' HB3' ' HE2' ' A' ' 46' ' ' MET . . . -123.58 127.02 47.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.171 -0.468 . . . . 65.540000000000006 111.538 -176.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' SER . . . -109.3 110.99 22.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.897 -0.592 . . . . 72.310000000000002 110.21 174.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -101.1 112.89 25.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.159 -0.473 . . . . 73.450000000000003 110.864 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.572 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 72.1 m -92.49 104.75 17.03 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.917 -0.401 . . . . 74.030000000000001 109.917 174.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -78.8 172.25 14.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.98 -0.554 . . . . 74.409999999999997 110.95 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.536 ' HB2' ' CB ' ' A' ' 59' ' ' ALA . 16.9 m -102.34 -19.41 15.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.131 0.491 . . . . 64.450000000000003 110.029 -176.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.606 ' HB3' ' HG2' ' A' ' 89' ' ' GLU . 42.7 t -123.43 151.58 42.51 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.652 -0.704 . . . . 52.149999999999999 109.19 173.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.643 ' O ' HG12 ' A' ' 91' ' ' ILE . 27.3 tt0 -74.36 -32.84 62.92 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.621 -0.431 . . . . 74.310000000000002 110.517 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.51 -48.3 81.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.286 -0.415 . . . . 64.430000000000007 111.178 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.606 ' HG2' ' HB3' ' A' ' 86' ' ' CYS . 15.0 pt-20 -64.93 -27.3 68.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 64.120000000000005 111.223 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.632 ' HE3' ' HA ' ' A' ' 28' ' ' CYS . 14.3 tmm? -75.64 -48.38 22.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.282 -0.417 . . . . 72.319999999999993 111.015 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.643 HG12 ' O ' ' A' ' 87' ' ' GLN . 7.2 pt -69.22 -34.52 63.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 112.086 0.402 . . . . 54.310000000000002 112.086 -176.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 pp -71.29 -29.91 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.708 -0.397 . . . . 65.019999999999996 110.214 176.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.684 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 72.6 t80 -64.52 -43.18 94.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.542 . . . . 72.409999999999997 109.597 175.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.408 ' O ' ' HD3' ' A' ' 98' ' ' ARG . 56.2 mm-40 -54.97 -44.59 74.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.466 -0.788 . . . . 72.329999999999998 110.885 177.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 67.9 mt -70.42 -47.74 59.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.196 -0.456 . . . . 73.109999999999999 111.103 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.5 m -54.4 -39.35 67.19 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.264 -0.426 . . . . 64.319999999999993 111.483 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.684 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 85.6 mt -57.57 -51.58 68.88 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.065 0.459 . . . . 73.040000000000006 111.546 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.408 ' HD3' ' O ' ' A' ' 94' ' ' GLU . 5.9 mpt_? -77.24 -30.94 54.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.919 -0.582 . . . . 73.209999999999994 111.383 -172.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.2 m -83.18 -0.36 48.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.338 -0.392 . . . . 65.439999999999998 111.354 -177.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.1 tp . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 120.866 0.365 . . . . 74.239999999999995 111.264 -178.451 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 121.265 0.555 . . . . 70.239999999999995 111.267 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.9 p -107.55 -6.06 17.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.769 -0.65 . . . . 72.510000000000005 109.84 175.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.466 ' HG1' HG21 ' A' ' 83' ' ' THR . 12.2 m -92.48 117.34 29.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.627 -0.715 . . . . 74.439999999999998 110.175 178.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.674 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 23.2 t -98.27 116.2 30.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.543 -0.54 . . . . 71.400000000000006 109.543 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.683 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -104.72 160.35 15.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.055 -0.52 . . . . 71.150000000000006 110.2 -178.86 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -154.26 118.87 4.89 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.63 -0.714 . . . . 75.340000000000003 110.202 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.655 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 3.9 p -134.97 106.94 7.06 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.296 0.57 . . . . 63.020000000000003 110.629 175.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -127.2 143.98 51.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.564 -0.744 . . . . 74.329999999999998 110.039 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.459 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 98.3 m-85 -87.38 133.87 33.66 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.054 -0.521 . . . . 73.430000000000007 109.726 175.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.702 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 96.6 m-85 -117.7 161.65 19.33 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.877 -0.601 . . . . 74.329999999999998 110.085 -179.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.71 -43.18 98.13 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.362 0.413 . . . . 52.32 111.089 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.39 166.54 24.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.515 -0.55 . . . . 74.530000000000001 109.515 178.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.73 ' HA ' HG22 ' A' ' 76' ' ' VAL . 19.0 ttt180 -61.43 -29.34 69.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.676 0.274 . . . . 55.439999999999998 110.76 -179.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.62 -50.51 65.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.403 0.62 . . . . 64.409999999999997 110.528 174.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.702 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 42.4 mm-40 -57.37 -33.03 67.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.792 -1.095 . . . . 74.420000000000002 110.575 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.09 -52.16 10.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.731 -0.668 . . . . 72.340000000000003 111.315 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.667 ' HG2' HD12 ' A' ' 69' ' ' ILE . 43.5 mt-10 -63.26 -36.12 82.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 71.430000000000007 111.096 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 t -66.48 -32.22 73.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.162 -0.472 . . . . 72.219999999999999 110.305 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.522 ' O ' HD23 ' A' ' 49' ' ' LEU . 4.0 t80 -76.18 -30.09 57.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.756 -0.461 . . . . 72.400000000000006 109.756 -177.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.442 ' HE3' HD12 ' A' ' 78' ' ' LEU . 31.1 tpp -62.8 -37.04 85.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.081 0.467 . . . . 71.25 110.699 177.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.538 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 27.3 m -60.17 -49.11 78.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.89 -0.595 . . . . 64.200000000000003 111.213 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -71.13 -27.17 63.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.893 0.378 . . . . 74.019999999999996 111.089 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -62.67 -37.57 86.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 74.109999999999999 110.432 173.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.538 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 46.2 mttt -63.9 -40.81 97.38 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.728 -0.214 . . . . 65.400000000000006 110.686 175.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -57.57 -51.26 70.2 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.511 0.672 . . . . 71.340000000000003 109.854 175.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.73 -44.95 94.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.153 -0.93 . . . . 63.140000000000001 111.477 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.11 83.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.456 -0.338 . . . . 55.219999999999999 111.457 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.84 -35.7 80.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.25 111.517 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.9 -28.41 25.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.526 -0.306 . . . . 71.519999999999996 111.667 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.44 -26.26 32.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.956 0.354 . . . . 75.430000000000007 111.956 -176.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.1 p -89.83 133.69 34.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.465 0.65 . . . . 71.239999999999995 111.757 -174.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.6 m -83.45 6.23 20.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.284 -0.871 . . . . 74.439999999999998 110.697 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.81 2.01 40.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.808 -0.633 . . . . 73.400000000000006 110.888 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.2 t70 73.66 -64.1 0.41 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.901 0.751 . . . . 73.140000000000001 112.063 175.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.29 -32.57 68.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.907 0.384 . . . . 62.509999999999998 110.985 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.59 -132.16 4.81 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.648 -0.787 . . . . 75.450000000000003 111.864 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.9 168.57 24.1 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.049 -0.352 . . . . 61.109999999999999 110.049 -178.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.468 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 15.3 m -71.57 109.98 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.927 -0.397 . . . . 65.349999999999994 109.927 177.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 p -104.84 119.37 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.533 0.682 . . . . 70.049999999999997 111.487 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.82 130.2 50.93 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.114 -0.948 . . . . 42.149999999999999 108.456 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -146.44 154.47 41.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.375 0.607 . . . . 71.319999999999993 112.049 -173.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' A' ' 68' ' ' LYS . 45.4 mtmt -124.29 142.3 51.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.908 -1.042 . . . . 75.010000000000005 110.043 175.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.667 HD12 ' HG2' ' A' ' 43' ' ' GLU . 45.6 mt -119.15 104.27 15.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 N-CA-C 108.039 -1.097 . . . . 64.5 108.039 174.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.719 ' HB3' ' HG2' ' A' ' 77' ' ' GLU . 40.8 tttm -115.29 110.11 18.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.881 0.848 . . . . 74.420000000000002 111.177 -168.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.791 ' HA ' HG13 ' A' ' 76' ' ' VAL . 4.3 m-20 -75.88 131.63 39.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 113.838 -1.528 . . . . 74.340000000000003 110.961 -175.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.43 HD22 ' HZ2' ' A' ' 70' ' ' LYS . 78.4 mt -123.06 -170.6 2.14 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.088 -0.708 . . . . 54.509999999999998 109.088 173.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -95.82 101.3 12.97 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.873 -0.331 . . . . 70.439999999999998 110.47 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.94 0.09 68.92 Favored Glycine 0 C--O 1.235 0.187 0 C-N-CA 121.112 -0.566 . . . . 61.439999999999998 112.086 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -162.51 169.71 19.86 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.238 -0.653 . . . . 72.420000000000002 109.238 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.791 HG13 ' HA ' ' A' ' 71' ' ' ASP . 28.6 m -144.71 153.39 14.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 109.419 -0.585 . . . . 74.319999999999993 109.419 176.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.719 ' HG2' ' HB3' ' A' ' 70' ' ' LYS . 12.5 pt-20 -108.0 128.4 54.62 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.598 0.713 . . . . 72.430000000000007 110.302 174.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.655 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.1 tm? -102.98 111.13 23.32 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 108.049 -1.093 . . . . 74.450000000000003 108.049 174.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -118.29 108.81 15.56 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.018 -0.537 . . . . 71.409999999999997 110.13 -173.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.77 155.76 37.33 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.978 0.418 . . . . 72.040000000000006 111.384 -177.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -139.88 114.17 9.1 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.466 -0.788 . . . . 70.5 109.546 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -105.6 112.55 25.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.116 -0.493 . . . . 75.019999999999996 110.35 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.468 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 5.4 m -88.22 107.2 18.67 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.729 0.3 . . . . 71.230000000000004 110.268 179.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.418 ' HE2' ' HB3' ' A' ' 30' ' ' SER . 98.5 m-85 -91.97 165.73 13.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 71.420000000000002 110.582 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.9 m -79.55 -29.22 41.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.264 -0.426 . . . . 65.129999999999995 111.276 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.1 m -124.34 164.74 19.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.275 -0.42 . . . . 71.120000000000005 110.24 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -80.52 -32.47 36.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.525 -0.307 . . . . 74.519999999999996 111.132 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.512 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.86 -38.18 69.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 110.92 178.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -34.07 75.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.885 -0.598 . . . . 75.150000000000006 110.386 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.674 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 11.5 tmm? -70.21 -50.76 36.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 74.109999999999999 110.262 -177.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.605 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.6 pt -67.19 -41.23 86.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.317 -0.401 . . . . 72.409999999999997 111.844 -177.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 88' ' ' ALA . 40.9 pt -66.63 -30.39 49.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 120.77 -0.372 . . . . 74.099999999999994 110.573 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.677 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 19.5 t80 -63.43 -48.45 77.71 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.387 -0.597 . . . . 74.400000000000006 109.387 176.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.461 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 58.0 mm-40 -55.47 -38.42 69.07 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.574 -0.739 . . . . 60.329999999999998 111.053 175.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 78.5 mt -66.16 -53.73 33.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.882 -0.599 . . . . 73.310000000000002 110.602 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.6 p -59.19 -37.53 77.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 72.219999999999999 112.21 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 80.8 mt -60.09 -49.09 79.0 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.121 0.486 . . . . 74.329999999999998 110.514 178.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.461 ' NH1' ' HB3' ' A' ' 94' ' ' GLU . 76.4 mtt85 -69.1 -33.36 73.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.477 -0.783 . . . . 73.319999999999993 111.22 -178.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 m -77.36 -34.85 54.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.933 -0.576 . . . . 74.439999999999998 111.718 -175.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 34.1 tp . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 120.917 0.389 . . . . 74.540000000000006 110.974 -177.078 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.3 p30 . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 109.621 -0.511 . . . . 74.120000000000005 109.621 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 m -112.55 13.91 20.11 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.202 0.525 . . . . 73.140000000000001 110.554 -175.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 83' ' ' THR . 41.6 m -95.1 128.81 42.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.728 -0.669 . . . . 74.5 110.408 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.664 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 9.2 t -97.61 104.3 16.32 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.277 -0.638 . . . . 73.030000000000001 109.277 177.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -97.69 119.93 37.15 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.582 -0.735 . . . . 72.25 110.543 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -126.83 119.51 27.0 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.123 -0.49 . . . . 74.109999999999999 109.819 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 t -126.19 113.57 17.19 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.857 -0.611 . . . . 61.100000000000001 109.771 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -138.69 150.67 46.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.414 -0.357 . . . . 65.129999999999995 110.138 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -105.14 129.59 53.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.771 0.32 . . . . 74.349999999999994 110.599 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -120.16 171.12 8.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.889 -0.596 . . . . 71.349999999999994 110.677 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.39 -54.77 23.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.395 . . . . 65.230000000000004 111.426 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.523 ' OG1' ' HG2' ' A' ' 41' ' ' GLU . 62.5 p -128.3 165.94 19.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.987 0.422 . . . . 74.109999999999999 111.264 -178.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.539 ' HG3' HG23 ' A' ' 69' ' ' ILE . 28.1 ttt-85 -63.03 -28.09 69.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.564 -0.744 . . . . 73.299999999999997 109.716 178.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.67 -50.15 73.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.197 -0.911 . . . . 71.510000000000005 110.337 175.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.523 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 14.1 mm-40 -59.93 -28.52 67.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.108 -0.951 . . . . 64.409999999999997 110.999 -178.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.419 ' HB3' HD22 ' A' ' 78' ' ' LEU . . . -71.67 -52.05 19.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.643 -0.708 . . . . 44.409999999999997 111.179 -177.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.02 -33.12 73.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.868 0.366 . . . . 73.200000000000003 110.693 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.9 m -67.56 -27.77 67.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 74.310000000000002 111.034 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.537 ' O ' HD23 ' A' ' 49' ' ' LEU . 88.7 t80 -69.92 -35.69 74.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.129 0.49 . . . . 65.150000000000006 110.172 178.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.498 ' HE3' ' HB2' ' A' ' 67' ' ' TYR . 38.1 ttm -72.35 -18.9 61.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.003 -0.544 . . . . 73.120000000000005 111.245 -177.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 m -56.67 -49.16 75.9 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 120.913 0.387 . . . . 72.420000000000002 111.109 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -73.51 -29.75 62.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.092 0.472 . . . . 71.299999999999997 110.82 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.0 mm? -66.51 -40.79 89.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.922 -0.581 . . . . 71.040000000000006 110.591 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -38.63 84.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 62.299999999999997 111.314 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.59 -45.73 91.55 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.44 0.638 . . . . 72.450000000000003 110.069 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -68.79 -42.0 77.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.146 -0.933 . . . . 74.120000000000005 111.268 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.67 75.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.384 -0.371 . . . . 72.420000000000002 111.635 -178.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.23 -36.15 81.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 64.319999999999993 111.147 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.67 -33.55 21.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.949 0.404 . . . . 73.109999999999999 111.163 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.36 -27.43 67.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.823 -0.626 . . . . 52.140000000000001 112.122 -176.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.584 ' HB3' ' CD1' ' A' ' 84' ' ' PHE . 48.7 p -115.74 139.81 49.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.751 0.31 . . . . 72.510000000000005 110.914 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.9 m -92.14 64.14 4.48 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.211 0.529 . . . . 71.140000000000001 109.819 174.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.74 -23.92 4.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.746 -0.661 . . . . 71.030000000000001 110.934 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 74.26 -62.71 0.45 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.583 0.753 . . . . 70.010000000000005 111.572 177.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -94.51 19.67 9.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.994 -0.548 . . . . 72.25 111.839 -172.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.66 150.14 13.17 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.769 -0.729 . . . . 74.430000000000007 113.407 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.99 179.1 5.34 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.954 -0.387 . . . . 40.130000000000003 109.954 176.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 1.123 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 38.9 m -74.11 87.11 1.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.898 0.38 . . . . 65.540000000000006 110.198 177.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 p -100.57 115.73 42.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.602 0.715 . . . . 73.340000000000003 111.255 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.72 100.79 9.23 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.323 -0.853 . . . . 61.109999999999999 108.929 173.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.498 ' HB2' ' HE3' ' A' ' 46' ' ' MET . 12.1 p90 -125.12 153.16 43.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.829 0.347 . . . . 75.519999999999996 110.648 -174.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.97 153.9 26.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.825 -0.625 . . . . 72.109999999999999 110.299 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.539 HG23 ' HG3' ' A' ' 39' ' ' ARG . 54.0 mt -114.0 121.76 66.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.465 -0.789 . . . . 75.129999999999995 109.368 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.834 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 17.6 tppt? -92.19 110.67 22.06 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.467 0.651 . . . . 75.230000000000004 110.253 177.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.412 ' HA ' HG13 ' A' ' 76' ' ' VAL . 2.6 m-20 -76.06 113.89 14.08 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.62 -1.173 . . . . 72.200000000000003 110.235 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 mt -120.96 179.27 4.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.82 0.343 . . . . 70.409999999999997 110.387 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.17 104.92 11.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.034 -0.53 . . . . 75.120000000000005 111.152 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.43 -12.59 68.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.035 -0.602 . . . . 75.030000000000001 112.932 174.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -153.17 171.13 18.94 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.718 -0.475 . . . . 72.019999999999996 109.718 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.412 HG13 ' HA ' ' A' ' 71' ' ' ASP . 27.1 m -138.14 153.56 27.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.378 -0.374 . . . . 73.519999999999996 110.6 175.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.834 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 40.7 tt0 -102.76 114.18 28.22 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.893 -0.594 . . . . 73.109999999999999 109.709 175.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.492 HD22 HG12 ' A' ' 69' ' ' ILE . 3.2 tm? -93.63 109.37 21.01 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.085 -1.08 . . . . 64.310000000000002 108.085 174.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -123.83 112.95 17.89 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.836 -0.62 . . . . 64.319999999999993 109.463 -173.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.12 140.04 47.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.962 0.41 . . . . 71.219999999999999 111.794 -174.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.05 107.95 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.542 -0.754 . . . . 74.129999999999995 110.563 175.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -96.75 112.71 24.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.536 -0.542 . . . . 75.219999999999999 109.536 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 1.123 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 9.5 m -97.41 113.44 25.11 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.892 0.377 . . . . 51.149999999999999 110.093 -175.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 57' ' ' SER . 86.9 m-85 -98.33 170.51 8.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.825 -0.625 . . . . 74.25 110.286 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.9 m -67.78 -41.67 82.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.33 -0.396 . . . . 70.319999999999993 110.879 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 38.3 m -130.37 155.15 46.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.284 -0.416 . . . . 73.230000000000004 110.053 -178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.547 ' O ' HG12 ' A' ' 91' ' ' ILE . 33.1 tt0 -64.49 -27.98 69.35 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.077 -0.249 . . . . 63.039999999999999 110.549 178.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.84 -48.3 64.02 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.344 0.402 . . . . 73.400000000000006 110.54 176.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.05 -30.21 71.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.405 0.621 . . . . 74.409999999999997 110.146 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.664 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 13.4 tmm? -74.89 -48.71 23.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.489 -0.778 . . . . 65.420000000000002 110.621 -176.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 87' ' ' GLN . 13.2 pt -69.04 -42.8 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.45 -0.341 . . . . 71.540000000000006 111.505 -178.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' A' ' 95' ' ' LEU . 2.6 pp -62.3 -29.51 46.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-O 120.997 0.427 . . . . 74.219999999999999 110.369 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.51 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 57.0 t80 -62.26 -51.09 69.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.741 -0.663 . . . . 74.150000000000006 110.772 177.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.58 -28.43 56.2 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.955 -0.298 . . . . 75.530000000000001 110.589 -177.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 92' ' ' ILE . 75.7 mt -59.55 -45.99 90.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.975 0.416 . . . . 73.010000000000005 110.128 172.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.0 m -59.27 -39.42 82.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.894 -0.594 . . . . 71.129999999999995 110.479 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.3 mt -61.57 -48.43 80.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 73.420000000000002 110.395 177.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -64.66 -37.98 89.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.692 . . . . 64.209999999999994 111.649 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.4 m -78.95 -25.59 43.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.181 -0.463 . . . . 70.310000000000002 111.674 -176.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.4 tp . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 120.658 0.266 . . . . 73.310000000000002 110.916 -178.306 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.405 ' C ' HD21 ' A' ' 27' ' ' ASN . 0.3 OUTLIER . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 120.681 0.277 . . . . 51.520000000000003 110.803 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 62.8 m -92.2 -20.95 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.698 0.285 . . . . 63.530000000000001 111.454 -174.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 39.0 m -85.61 127.41 34.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.98 0.419 . . . . 73.409999999999997 110.482 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.743 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 15.2 t -97.22 105.54 17.71 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.509 -0.552 . . . . 73.530000000000001 109.509 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.621 ' HA ' ' O ' ' A' ' 80' ' ' ALA . 48.6 mtmt -109.9 149.1 30.38 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.381 0.61 . . . . 74.349999999999994 111.302 176.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -152.39 124.3 7.98 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.972 -1.013 . . . . 65.239999999999995 109.627 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 13.4 m -124.59 108.89 12.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.479 -0.328 . . . . 52.109999999999999 110.229 -178.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.6 ttt85 -127.51 145.41 50.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.894 0.378 . . . . 75.310000000000002 111.415 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -82.52 133.4 35.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.558 -0.747 . . . . 74.540000000000006 109.826 176.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.432 ' HE2' ' HB3' ' A' ' 78' ' ' LEU . 84.6 m-85 -120.21 157.64 28.67 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.154 -0.475 . . . . 75.209999999999994 110.106 176.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.74 -49.46 68.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.131 -0.486 . . . . 75.239999999999995 111.08 -178.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 42.0 p -124.2 160.15 28.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.15 -0.477 . . . . 73.439999999999998 110.126 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.601 ' HA ' HG23 ' A' ' 76' ' ' VAL . 17.2 ttt180 -63.81 -25.99 68.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.957 0.408 . . . . 75.340000000000003 110.127 176.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.81 -47.88 83.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.941 -0.572 . . . . 71.400000000000006 110.541 174.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -52.72 -33.09 46.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.198 -0.91 . . . . 62.219999999999999 111.295 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.463 ' HB3' HD21 ' A' ' 78' ' ' LEU . . . -75.41 -53.05 9.34 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.082 -0.508 . . . . 75.030000000000001 111.45 -176.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.95 -33.13 74.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.402 -0.363 . . . . 62.450000000000003 111.387 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -69.2 -30.05 68.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.913 0.387 . . . . 64.140000000000001 110.398 177.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.552 ' O ' HD21 ' A' ' 49' ' ' LEU . 80.9 t80 -71.02 -42.57 69.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 75.150000000000006 109.881 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.417 ' HE3' HD12 ' A' ' 78' ' ' LEU . 40.1 tpp -61.76 -24.3 66.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.782 -0.645 . . . . 74.319999999999993 111.391 -179.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.2 m -58.34 -49.85 75.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.388 -0.369 . . . . 64.329999999999998 111.246 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -71.46 -29.52 64.95 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.884 -0.326 . . . . 72.129999999999995 110.807 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.552 HD21 ' O ' ' A' ' 45' ' ' PHE . 2.9 mm? -58.29 -43.62 88.14 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.94 0.4 . . . . 71.230000000000004 110.499 178.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -60.37 -49.13 78.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.822 -0.626 . . . . 73.540000000000006 111.348 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -69.66 -36.24 75.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.068 -0.515 . . . . 72.349999999999994 111.091 -176.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.3 mt -65.34 -35.63 81.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.997 -0.547 . . . . 74.319999999999993 111.197 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.94 -37.48 86.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.148 0.499 . . . . 65.150000000000006 110.252 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.598 ' O ' ' HA ' ' A' ' 58' ' ' SER . . . -67.75 -29.81 69.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.611 -0.722 . . . . 73.540000000000006 110.991 177.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.65 -33.64 35.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.377 -0.374 . . . . 75.439999999999998 111.135 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.08 -57.07 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 55.030000000000001 111.86 -176.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.6 m -104.29 -2.28 25.82 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.112 0.412 . . . . 62.409999999999997 112.112 -175.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.598 ' HA ' ' O ' ' A' ' 54' ' ' ALA . 54.7 m 69.78 -56.4 0.57 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.829 0.706 . . . . 71.420000000000002 110.263 -174.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.575 ' HB1' ' HA2' ' A' ' 62' ' ' GLY . . . 71.92 -57.75 0.61 Allowed 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.969 0.908 . . . . 61.439999999999998 112.454 174.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.8 t70 60.68 -80.9 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.845 0.715 . . . . 73.109999999999999 110.594 -174.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -70.12 -34.46 73.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.287 -0.635 . . . . 74.129999999999995 109.287 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.575 ' HA2' ' HB1' ' A' ' 59' ' ' ALA . . . 123.75 127.84 3.26 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.54 -0.838 . . . . 74.310000000000002 113.273 173.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.24 157.79 37.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.203 -0.666 . . . . 75.219999999999999 109.203 170.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.832 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 16.4 m -58.95 107.17 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.996 0.427 . . . . 73.230000000000004 110.79 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.63 123.96 72.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.345 0.593 . . . . 71.239999999999995 111.47 -177.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.443 ' HB1' ' HB1' ' A' ' 81' ' ' ALA . . . -124.88 139.1 54.14 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.37 -0.832 . . . . 72.219999999999999 109.378 174.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -140.52 140.5 35.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.882 0.372 . . . . 73.439999999999998 110.732 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.853 ' HB2' ' HB2' ' A' ' 79' ' ' ASP . 95.9 mttt -128.63 140.65 51.66 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.837 -0.62 . . . . 73.109999999999999 110.405 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.3 mt -126.35 103.96 12.2 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 CA-C-N 115.05 -0.977 . . . . 61.439999999999998 108.493 174.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -96.29 121.06 37.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.13 0.491 . . . . 73.519999999999996 110.895 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.491 ' HA ' HG12 ' A' ' 76' ' ' VAL . 14.0 m-20 -79.12 97.2 6.07 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.025 -0.989 . . . . 55.310000000000002 109.253 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 85.2 mt -92.98 -177.02 4.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.899 0.38 . . . . 73.340000000000003 110.051 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.17 101.97 14.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.947 0.403 . . . . 75.209999999999994 110.595 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.39 -27.63 14.79 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 115.844 -0.616 . . . . 52.100000000000001 112.311 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 11.1 pt20 -138.3 -179.82 6.02 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.83 -0.433 . . . . 70.099999999999994 109.83 -178.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.601 HG23 ' HA ' ' A' ' 39' ' ' ARG . 31.5 m -138.27 157.93 31.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 110.012 -0.366 . . . . 74.25 110.012 175.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -116.87 122.95 45.83 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.909 -0.404 . . . . 75.049999999999997 109.909 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.464 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.5 tm? -96.52 120.37 36.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.323 -0.853 . . . . 73.409999999999997 109.55 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.853 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 14.5 m-20 -107.95 116.15 31.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.028 -0.533 . . . . 72.549999999999997 110.498 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.621 ' O ' ' HA ' ' A' ' 31' ' ' LYS . . . -109.89 128.37 55.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.237 -0.438 . . . . 73.150000000000006 110.021 175.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.443 ' HB1' ' HB1' ' A' ' 66' ' ' ALA . . . -133.47 103.76 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.861 0.362 . . . . 73.430000000000007 110.662 178.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -113.14 131.32 55.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.3 -0.409 . . . . 75.200000000000003 110.61 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.832 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 18.7 m -108.18 109.77 21.25 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.129 -0.323 . . . . 70.209999999999994 110.129 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -100.26 171.69 7.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 110.674 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.1 m -86.24 -44.78 11.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.232 -0.44 . . . . 72.540000000000006 110.533 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.502 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 27.8 m -112.1 145.1 40.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.133 -0.485 . . . . 73.420000000000002 110.31 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.511 ' O ' HG12 ' A' ' 91' ' ' ILE . 18.6 tt0 -68.68 -28.45 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 74.230000000000004 110.369 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.482 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -57.07 -36.36 70.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.906 -0.588 . . . . 52.329999999999998 110.622 175.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.502 ' HG3' ' HB2' ' A' ' 86' ' ' CYS . 30.2 mt-10 -73.91 -34.2 64.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.939 -0.573 . . . . 71.310000000000002 110.038 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.743 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 14.4 tmm? -67.84 -48.97 64.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.794 -0.639 . . . . 71.049999999999997 110.416 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 87' ' ' GLN . 18.8 pt -66.39 -45.1 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.405 -0.361 . . . . 71.129999999999995 111.877 -177.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 88' ' ' ALA . 40.3 pt -63.28 -30.74 50.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-O 120.981 0.42 . . . . 62.399999999999999 110.462 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.42 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 91.1 t80 -66.85 -52.03 48.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.794 -0.639 . . . . 73.310000000000002 111.124 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.414 ' HA ' ' HG ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -73.73 -28.38 61.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.685 0.278 . . . . 71.430000000000007 111.142 -175.387 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 74.5 mt -69.31 -40.55 77.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.774 0.321 . . . . 74.340000000000003 110.699 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.8 m -68.03 -23.49 64.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.538 -0.301 . . . . 63.229999999999997 111.319 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 84.7 mt -54.81 -51.86 64.5 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.829 0.347 . . . . 64.109999999999999 111.133 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -37.36 49.67 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.694 -0.402 . . . . 75.430000000000007 111.311 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.9 t -71.39 -12.46 61.43 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.992 0.367 . . . . 63.229999999999997 111.992 -174.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.0 tp . . . . . 0 C--N 1.324 -0.518 0 CA-C-O 120.876 0.369 . . . . 73.109999999999999 110.233 178.837 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.46 ' C ' HD21 ' A' ' 27' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 121.097 0.475 . . . . 71.430000000000007 111.855 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 87' ' ' GLN . 62.0 m -103.04 5.51 38.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.582 -0.735 . . . . 72.150000000000006 110.131 178.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.511 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 52.3 m -97.88 124.35 42.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.68 -0.691 . . . . 73.129999999999995 110.647 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.469 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 47.7 t -99.06 135.76 39.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.904 -0.406 . . . . 71.019999999999996 109.904 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.475 ' HB3' ' HZ2' ' A' ' 31' ' ' LYS . 3.9 mmmp? -106.31 112.6 25.68 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.167 -0.469 . . . . 72.310000000000002 110.263 177.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.63 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 93.5 t80 -100.07 118.31 36.17 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.15 -0.685 . . . . 75.5 109.15 176.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 19.6 m -133.04 106.65 7.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.062 0.458 . . . . 75.219999999999999 110.213 -179.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.98 139.36 48.62 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.155 -0.475 . . . . 62.409999999999997 109.866 -178.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -93.03 139.13 30.85 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.902 -0.59 . . . . 74.5 110.143 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -131.04 165.65 22.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.507 -0.315 . . . . 73.329999999999998 110.337 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.95 -55.62 24.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.04 -0.527 . . . . 62.43 111.541 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.412 ' OG1' ' HG2' ' A' ' 41' ' ' GLU . 70.2 p -120.86 159.29 25.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.357 -0.383 . . . . 70.430000000000007 110.106 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.829 ' HG3' HG21 ' A' ' 69' ' ' ILE . 20.7 ttt180 -60.87 -29.32 69.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.268 0.556 . . . . 70.019999999999996 110.092 175.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.41 -45.67 93.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.361 -0.836 . . . . 74.25 110.428 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.412 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 33.2 mm-40 -57.74 -32.68 67.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.693 -0.685 . . . . 73.209999999999994 110.504 175.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 78' ' ' LEU . . . -75.88 -53.17 8.85 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.577 -0.738 . . . . 53.109999999999999 111.702 -174.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.544 ' HG2' HG12 ' A' ' 69' ' ' ILE . 40.0 mt-10 -69.02 -21.02 64.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 53.32 111.363 -176.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.8 m -79.04 -28.05 43.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.493 -0.321 . . . . 72.319999999999993 110.52 177.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.467 ' O ' HD21 ' A' ' 49' ' ' LEU . 22.1 t80 -74.12 -25.84 60.0 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.466 -0.568 . . . . 74.439999999999998 109.466 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.503 ' HE3' ' HB1' ' A' ' 80' ' ' ALA . 50.5 tpp -65.35 -29.73 70.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.593 -0.731 . . . . 74.0 110.764 178.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.549 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 3.1 m -56.5 -49.94 73.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.042 0.449 . . . . 65.0 111.205 -178.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -73.82 -27.02 60.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.062 -0.517 . . . . 74.430000000000007 110.883 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.467 HD21 ' O ' ' A' ' 45' ' ' PHE . 3.4 mm? -62.24 -37.51 85.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.467 -0.333 . . . . 74.25 110.63 174.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.549 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 35.5 mtpt -53.12 -51.22 62.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.121 0.486 . . . . 61.350000000000001 110.133 173.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -54.84 -51.44 65.88 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.345 -0.843 . . . . 61.530000000000001 110.773 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.11 -48.66 80.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.593 -0.73 . . . . 70.530000000000001 111.417 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.64 -43.83 92.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.535 -0.302 . . . . 72.530000000000001 111.267 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.36 71.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 62.130000000000003 111.305 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.7 -43.01 19.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.299 -0.41 . . . . 73.439999999999998 111.321 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.91 -47.89 76.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 72.140000000000001 111.297 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.493 ' HB3' ' HD2' ' A' ' 84' ' ' PHE . 79.4 p -89.88 133.1 34.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.262 -0.426 . . . . 73.030000000000001 110.263 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -75.31 14.59 0.55 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.139 0.495 . . . . 74.129999999999995 111.296 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.407 ' H ' ' C ' ' A' ' 57' ' ' SER . . . -74.12 -30.18 62.18 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.169 -0.469 . . . . 51.329999999999998 109.777 173.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 70.62 -50.59 0.67 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.269 -0.878 . . . . 63.140000000000001 112.467 176.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.72 -30.5 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.12 0.485 . . . . 75.340000000000003 110.139 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.24 167.19 11.88 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.545 -0.752 . . . . 55.520000000000003 111.629 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.63 171.69 9.2 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.051 -0.351 . . . . 65.329999999999998 110.051 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.776 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 69.3 m -74.5 90.15 2.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.963 0.411 . . . . 70.430000000000007 110.092 176.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 3.4 p -101.39 116.42 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.628 0.728 . . . . 53.200000000000003 111.808 -175.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.79 96.75 7.8 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.172 -0.922 . . . . 63.43 108.682 170.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 31.8 p90 -106.84 152.86 23.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.001 0.429 . . . . 74.310000000000002 111.048 -173.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -144.63 148.8 34.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.648 -0.705 . . . . 75.030000000000001 109.781 178.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.829 HG21 ' HG3' ' A' ' 39' ' ' ARG . 4.0 mp -120.04 109.51 26.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 108.68 -0.859 . . . . 70.099999999999994 108.68 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.714 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 22.6 tptm -96.72 119.39 35.12 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.383 0.611 . . . . 53.43 111.047 -173.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.48 105.38 7.5 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.883 -1.053 . . . . 73.019999999999996 109.72 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.562 HD11 ' HB2' ' A' ' 77' ' ' GLU . 94.5 mt -106.93 -175.75 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.258 0.551 . . . . 72.329999999999998 111.338 -176.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -92.77 100.84 13.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.403 -0.817 . . . . 73.409999999999997 110.502 -177.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.43 -7.04 78.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.022 -0.608 . . . . 72.209999999999994 112.479 178.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 12.6 pt20 -160.19 177.82 10.28 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.271 -0.64 . . . . 71.310000000000002 109.271 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.586 HG22 ' HA ' ' A' ' 39' ' ' ARG . 27.0 m -131.87 150.73 34.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.085 -0.339 . . . . 74.430000000000007 110.085 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.714 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 35.5 tt0 -105.52 113.91 27.77 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.901 -0.59 . . . . 74.439999999999998 109.706 179.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.44 HD11 ' HE2' ' A' ' 46' ' ' MET . 3.2 tm? -98.38 114.19 26.43 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.514 -0.921 . . . . 74.530000000000001 108.514 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.63 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 19.7 t70 -128.0 135.82 50.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.112 -0.494 . . . . 61.119999999999997 110.212 -177.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -143.42 124.88 14.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.375 -0.375 . . . . 55.119999999999997 110.845 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -100.17 101.5 12.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.057 -0.52 . . . . 73.420000000000002 110.398 177.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.511 ' O ' ' HA ' ' A' ' 29' ' ' THR . 97.1 m-85 -91.52 111.47 22.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.535 -0.302 . . . . 74.120000000000005 110.486 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.776 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 34.1 m -95.95 105.79 17.86 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.756 -0.461 . . . . 65.129999999999995 109.756 175.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.493 ' HD2' ' HB3' ' A' ' 57' ' ' SER . 94.7 m-85 -86.22 150.02 24.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.949 -0.569 . . . . 63.119999999999997 110.492 -178.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.3 m -64.48 -30.98 72.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.325 0.584 . . . . 61.450000000000003 110.544 177.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.556 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 55.8 m -126.81 142.79 51.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.799 -0.637 . . . . 73.109999999999999 109.627 177.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.417 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 29.0 tt0 -66.98 -28.85 68.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.721 0.295 . . . . 75.450000000000003 110.842 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.442 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.54 -39.13 70.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 63.439999999999998 110.827 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.556 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 2.1 mm-40 -67.2 -28.59 68.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.051 -0.522 . . . . 64.219999999999999 110.295 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.469 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 16.8 tmm? -75.61 -49.36 18.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.609 . . . . 72.340000000000003 110.646 -177.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.51 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 4.7 pt -66.58 -35.97 76.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.239 0.459 . . . . 70.019999999999996 112.239 -177.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 88' ' ' ALA . 36.8 pt -69.63 -29.71 42.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-O 121.166 0.508 . . . . 72.239999999999995 110.354 177.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.583 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 61.8 t80 -64.59 -46.57 82.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.565 -0.743 . . . . 75.409999999999997 109.956 176.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -56.78 -47.59 79.79 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.952 -0.567 . . . . 74.519999999999996 111.307 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 70.5 mt -54.56 -40.22 68.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.671 -0.695 . . . . 75.150000000000006 110.957 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.6 m -83.31 -20.74 33.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.644 -0.707 . . . . 55.210000000000001 111.973 -173.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 79.9 mt -66.17 -52.53 47.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.841 0.353 . . . . 72.530000000000001 111.041 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -75.84 -29.36 58.57 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.685 -0.406 . . . . 74.439999999999998 111.04 -177.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.2 m -75.46 1.79 13.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.616 0.246 . . . . 72.439999999999998 111.447 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 75.010000000000005 111.269 -178.561 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.467 ' HB3' ' H ' ' A' ' 29' ' ' THR . 19.0 m-80 . . . . . 0 N--CA 1.464 0.226 0 CA-C-O 120.585 0.231 . . . . 74.450000000000003 110.547 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.3 p -111.24 -7.99 14.4 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.264 -1.013 . . . . 72.219999999999999 108.264 167.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.467 ' H ' ' HB3' ' A' ' 27' ' ' ASN . 9.6 m -108.26 125.67 51.94 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.534 -1.212 . . . . 75.109999999999999 110.4 -178.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.9 m -97.41 103.54 15.49 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.867 -0.606 . . . . 74.420000000000002 110.474 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.737 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -98.3 112.42 24.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.867 0.842 . . . . 61.409999999999997 109.311 175.14 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.432 ' HE2' ' HZ ' ' A' ' 45' ' ' PHE . 34.6 t80 -119.27 118.63 31.76 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.634 -1.166 . . . . 74.510000000000005 110.214 -176.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 1.9 m -111.2 131.11 55.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.854 -0.612 . . . . 63.219999999999999 110.523 -178.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -137.19 144.55 42.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.257 -0.428 . . . . 71.219999999999999 110.671 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -96.7 139.09 33.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.309 -0.405 . . . . 73.409999999999997 110.697 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -137.35 174.93 10.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.203 -0.453 . . . . 72.040000000000006 109.79 177.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.27 -55.9 6.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.823 0.344 . . . . 74.019999999999996 111.255 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.5 159.57 34.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.758 0.313 . . . . 72.310000000000002 111.594 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.7 ptt-85 -61.0 -26.49 67.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.86 -0.609 . . . . 65.299999999999997 111.575 -178.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.97 -45.82 90.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.361 0.601 . . . . 73.010000000000005 110.134 175.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -57.05 -31.09 64.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.833 -1.076 . . . . 44.409999999999997 110.508 176.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.57 -37.44 59.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.434 -0.803 . . . . 72.010000000000005 110.89 -178.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.33 -41.48 89.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.388 . . . . 65.129999999999995 110.177 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.8 m -61.61 -30.64 70.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.056 -0.52 . . . . 75.420000000000002 110.786 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.491 ' O ' HD23 ' A' ' 49' ' ' LEU . 62.0 t80 -69.02 -40.12 78.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.219999999999999 109.87 178.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 33.1 tpp -66.65 -30.34 70.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.158 -0.474 . . . . 72.120000000000005 110.665 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.5 m -60.45 -45.57 93.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.966 -0.561 . . . . 63.32 111.279 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 49' ' ' LEU . 3.0 ptpp? -73.18 -36.31 66.55 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.682 -0.407 . . . . 72.540000000000006 110.687 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.1 mm? -64.54 -38.4 90.89 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.342 -0.39 . . . . 55.310000000000002 111.133 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.76 -51.0 62.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 73.030000000000001 111.486 177.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -67.06 -36.43 82.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 75.400000000000006 111.066 -177.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 96.5 mt -66.92 -42.46 85.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.115 -0.493 . . . . 73.150000000000006 110.831 178.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.92 78.66 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.107 -0.497 . . . . 72.340000000000003 111.346 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.94 -33.81 76.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.112 -0.494 . . . . 74.25 111.35 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.55 -29.86 23.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.174 0.511 . . . . 63.409999999999997 111.084 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.9 -54.39 7.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.054 -0.521 . . . . 65.409999999999997 111.673 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.597 ' HA ' ' OE2' ' A' ' 89' ' ' GLU . 20.5 p -99.56 131.85 45.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 74.040000000000006 111.784 -174.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.7 m -97.98 41.68 1.12 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.655 -0.702 . . . . 72.420000000000002 111.3 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.453 ' HB1' ' O ' ' A' ' 62' ' ' GLY . . . -78.48 -53.08 7.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.044 -0.525 . . . . 60.439999999999998 110.898 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -166.1 -73.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 74.209999999999994 110.37 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -127.4 13.58 7.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.671 0.748 . . . . 74.230000000000004 109.323 175.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.453 ' O ' ' HB1' ' A' ' 59' ' ' ALA . . . 147.73 -161.19 28.5 Favored Glycine 0 N--CA 1.443 -0.889 0 CA-C-N 114.806 -1.088 . . . . 72.519999999999996 110.46 -175.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -114.03 167.24 10.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 117.005 0.402 . . . . 63.539999999999999 110.217 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.737 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 41.1 m -66.62 103.53 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.295 0.372 . . . . 71.319999999999993 110.063 177.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 p -100.33 115.75 42.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.532 0.682 . . . . 72.439999999999998 110.955 -176.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.22 96.48 6.15 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.305 -0.861 . . . . 72.129999999999995 109.008 172.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 20.4 p90 -118.36 143.39 46.67 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.212 -0.449 . . . . 72.519999999999996 110.96 -174.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -132.43 152.42 51.49 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.674 -0.693 . . . . 72.140000000000001 109.394 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.472 HG12 HD23 ' A' ' 78' ' ' LEU . 54.2 mt -118.16 114.55 45.55 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 CA-C-N 115.729 -0.669 . . . . 74.519999999999996 109.663 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -94.73 113.65 25.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.238 0.542 . . . . 74.319999999999993 109.987 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.693 ' HA ' HG12 ' A' ' 76' ' ' VAL . 12.2 t70 -90.03 97.26 11.08 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.138 -0.937 . . . . 73.040000000000006 109.33 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 46.4 mt -93.18 165.24 12.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.94 -0.573 . . . . 73.310000000000002 110.249 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -77.95 91.96 4.25 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.902 -0.59 . . . . 54.140000000000001 109.876 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.18 -32.49 3.24 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.925 -0.655 . . . . 73.439999999999998 112.42 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.505 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 14.0 pt20 -162.48 174.3 12.87 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.487 -0.56 . . . . 75.430000000000007 109.487 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.693 HG12 ' HA ' ' A' ' 71' ' ' ASP . 24.5 m -128.7 161.18 38.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 C-N-CA 120.984 -0.286 . . . . 73.340000000000003 110.582 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -123.52 124.74 43.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.182 -0.463 . . . . 70.209999999999994 110.463 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.472 HD23 HG12 ' A' ' 69' ' ' ILE . 3.4 tm? -94.09 114.33 26.46 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.344 -0.984 . . . . 64.409999999999997 108.344 173.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -119.51 102.15 8.45 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.034 -0.53 . . . . 71.400000000000006 109.983 -175.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.457 ' O ' ' HA ' ' A' ' 31' ' ' LYS . . . -115.75 125.44 52.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.442 -0.345 . . . . 72.310000000000002 111.775 -174.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.53 105.44 14.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.34 -0.391 . . . . 38.060000000000002 110.372 176.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -93.21 112.61 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 64.329999999999998 110.184 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.737 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 7.3 m -89.52 106.22 18.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.887 0.375 . . . . 74.129999999999995 110.15 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.502 ' HD1' ' HB3' ' A' ' 57' ' ' SER . 95.9 m-85 -91.7 153.31 19.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.969 -0.56 . . . . 75.299999999999997 111.135 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m -74.4 -21.15 59.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.818 -0.628 . . . . 73.349999999999994 110.752 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.57 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 61.1 m -133.95 150.51 51.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.972 -0.558 . . . . 74.109999999999999 110.127 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -71.44 -30.5 66.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.676 -0.238 . . . . 64.239999999999995 111.452 -178.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.65 -33.92 72.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.714 0.293 . . . . 71.209999999999994 110.821 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.597 ' OE2' ' HA ' ' A' ' 57' ' ' SER . 4.2 mm-40 -63.1 -35.3 79.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.866 -0.606 . . . . 73.239999999999995 110.345 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.403 ' HE3' HG23 ' A' ' 91' ' ' ILE . 37.1 ttp -61.23 -56.21 23.26 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.052 -0.522 . . . . 74.230000000000004 110.881 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.403 HG23 ' HE3' ' A' ' 90' ' ' MET . 2.2 pt -66.34 -43.73 91.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.708 -0.678 . . . . 75.530000000000001 112.439 -174.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.8 pp -63.96 -30.28 49.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.795 -0.362 . . . . 74.109999999999999 110.877 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.76 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 14.7 t80 -71.98 -52.46 16.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.053 -0.521 . . . . 75.030000000000001 110.251 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -56.04 -45.98 79.02 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.908 -0.587 . . . . 73.340000000000003 111.478 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.5 mt -65.67 -52.42 51.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.886 -0.597 . . . . 74.430000000000007 111.623 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 m -50.04 -42.89 50.53 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 111.974 0.361 . . . . 70.400000000000006 111.974 172.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.76 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 62.0 mt -65.76 -34.06 77.3 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.645 0.26 . . . . 73.129999999999995 111.586 -177.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -58.51 -47.96 82.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 72.310000000000002 110.89 -175.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.0 m -90.75 13.89 14.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.133 -0.485 . . . . 74.230000000000004 110.858 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.5 tt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.203 -0.453 . . . . 71.030000000000001 110.848 -178.817 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.347 -0.612 . . . . 71.430000000000007 109.347 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 76.8 m -111.48 -1.07 16.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.313 0.578 . . . . 74.120000000000005 109.955 173.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 61.1 m -114.95 120.33 39.55 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.473 -0.785 . . . . 72.230000000000004 110.635 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.554 ' HB2' ' HG3' ' A' ' 90' ' ' MET . 33.2 t -100.73 127.98 46.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.735 -0.469 . . . . 52.399999999999999 109.735 176.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -108.45 133.4 52.67 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.682 -0.488 . . . . 65.409999999999997 109.682 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -147.02 130.72 16.94 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.754 -0.657 . . . . 75.310000000000002 110.562 -174.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.612 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 71.8 p -135.07 131.11 36.59 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.134 -0.485 . . . . 64.329999999999998 110.112 175.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -130.22 142.97 50.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.127 -0.488 . . . . 73.409999999999997 109.975 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 60.4 m-85 -88.55 130.41 35.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.149 -0.478 . . . . 64.310000000000002 110.42 -178.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -123.85 170.75 10.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.038 -0.528 . . . . 75.310000000000002 109.998 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.449 ' O ' ' HA ' ' A' ' 75' ' ' GLN . . . -65.64 -59.45 3.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.031 0.443 . . . . 71.049999999999997 111.568 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.7 p -123.5 166.94 14.56 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.224 -0.444 . . . . 73.400000000000006 110.688 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.503 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 8.2 ppt_? -65.15 -22.53 66.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.112 0.482 . . . . 71.140000000000001 109.74 176.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.36 -46.45 88.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.381 -0.827 . . . . 70.0 110.202 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.11 -29.09 68.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.987 -1.006 . . . . 75.019999999999996 110.557 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB3' HD22 ' A' ' 78' ' ' LEU . . . -75.56 -43.08 50.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.882 -0.599 . . . . 71.299999999999997 110.624 -179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 33.5 mt-10 -62.69 -40.67 97.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.905 -0.589 . . . . 71.129999999999995 109.711 176.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.6 m -64.36 -34.95 79.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.292 -0.867 . . . . 63.130000000000003 110.472 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.571 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 31.5 t80 -69.47 -50.58 44.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.233 -0.44 . . . . 74.420000000000002 109.915 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.415 ' HE1' HD13 ' A' ' 78' ' ' LEU . 38.6 tpp -56.43 -28.67 60.13 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.759 0.314 . . . . 71.140000000000001 111.387 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.5 m -57.0 -49.66 75.09 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.167 -0.47 . . . . 74.219999999999999 111.388 178.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 19.8 ptmt -73.07 -27.31 61.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.543 -0.299 . . . . 72.510000000000005 111.295 -177.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.401 HD21 ' O ' ' A' ' 45' ' ' PHE . 4.3 mm? -60.69 -41.38 95.04 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 110.433 -0.21 . . . . 73.409999999999997 110.433 175.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.3 -41.11 98.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.985 0.421 . . . . 73.310000000000002 110.921 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -61.34 -48.27 82.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.709 -0.678 . . . . 63.039999999999999 110.343 177.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.5 mt -67.29 -42.0 84.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.214 -0.903 . . . . 74.019999999999996 111.695 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.18 -42.7 91.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.458 -0.337 . . . . 54.210000000000001 111.613 -176.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.92 -34.53 78.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 64.510000000000005 111.66 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.17 -33.73 22.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.498 -0.319 . . . . 65.099999999999994 111.747 -178.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.68 -51.24 10.13 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.318 0.488 . . . . 64.239999999999995 112.318 -175.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.699 ' HB3' ' HD1' ' A' ' 84' ' ' PHE . 80.3 p -93.45 169.02 10.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.048 0.452 . . . . 71.230000000000004 111.498 -173.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -90.48 10.32 25.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.491 -0.777 . . . . 71.319999999999993 110.305 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.24 98.24 9.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.763 -0.653 . . . . 64.239999999999995 109.357 176.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.91 -31.14 71.91 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.314 -0.857 . . . . 72.319999999999993 112.254 -171.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -98.89 9.99 42.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.402 0.62 . . . . 65.340000000000003 110.052 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.32 142.56 9.0 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.708 -0.678 . . . . 65.430000000000007 112.397 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.35 152.69 43.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.402 -0.222 . . . . 73.239999999999995 110.402 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.694 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 61.4 m -70.37 94.57 0.96 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.114 -0.494 . . . . 73.150000000000006 110.237 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 5.0 p -111.07 118.78 58.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.355 0.598 . . . . 63.210000000000001 111.586 -176.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.33 101.29 12.23 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.282 -1.007 . . . . 74.329999999999998 108.282 170.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 54.3 p90 -121.83 159.78 26.05 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.94 0.4 . . . . 71.519999999999996 111.649 -172.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.474 ' HG2' ' HB3' ' A' ' 79' ' ' ASP . 9.7 ptpp? -143.29 150.34 39.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.618 -0.719 . . . . 74.239999999999995 109.872 175.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 66.5 mt -112.13 105.38 18.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 108.685 -0.857 . . . . 65.140000000000001 108.685 173.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.757 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -101.43 114.37 28.31 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.194 -0.602 . . . . 51.450000000000003 110.632 -175.281 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.734 ' HA ' HG11 ' A' ' 76' ' ' VAL . 5.0 p-10 -69.88 127.04 31.52 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.811 -1.086 . . . . 73.409999999999997 109.593 176.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.3 mt -116.97 -170.51 1.85 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.441 -0.577 . . . . 74.140000000000001 109.441 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -90.67 99.64 12.63 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.796 0.332 . . . . 72.010000000000005 110.261 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.25 14.07 72.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.214 -0.517 . . . . 70.340000000000003 112.449 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.449 ' HA ' ' O ' ' A' ' 37' ' ' ALA . 3.4 pt20 -174.98 -179.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.455 -0.572 . . . . 64.549999999999997 109.455 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.734 HG11 ' HA ' ' A' ' 71' ' ' ASP . 27.8 m -142.2 156.41 19.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.957 -0.386 . . . . 72.129999999999995 109.957 176.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -111.51 118.57 36.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.052 0.453 . . . . 64.409999999999997 110.247 173.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.612 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -90.97 109.95 21.19 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.231 -1.026 . . . . 70.420000000000002 108.231 173.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.474 ' HB3' ' HG2' ' A' ' 68' ' ' LYS . 18.0 t70 -115.87 135.19 54.23 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.696 -0.684 . . . . 74.310000000000002 109.86 -175.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -149.05 140.01 22.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.99 0.424 . . . . 75.109999999999999 111.797 -177.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.497 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -115.69 109.22 17.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.777 -0.647 . . . . 71.349999999999994 109.882 173.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.522 ' O ' ' HA ' ' A' ' 29' ' ' THR . 71.6 m-85 -100.3 113.15 25.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.291 -0.413 . . . . 74.140000000000001 111.571 -176.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.694 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 57.9 m -94.76 115.41 27.47 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.763 -0.458 . . . . 71.040000000000006 109.763 173.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.699 ' HD1' ' HB3' ' A' ' 57' ' ' SER . 92.4 m-85 -97.61 -177.63 3.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.24 -0.437 . . . . 71.230000000000004 110.71 -178.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 p -104.0 -14.31 15.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.905 0.383 . . . . 73.200000000000003 111.227 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.704 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 27.2 m -137.94 157.82 45.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.47 -0.332 . . . . 53.049999999999997 110.14 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -61.1 -49.97 75.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 73.219999999999999 110.937 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.569 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -56.57 -42.84 79.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.69 -0.686 . . . . 73.409999999999997 110.886 -176.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.704 ' HG3' ' HB2' ' A' ' 86' ' ' CYS . 77.4 mt-10 -56.54 -29.94 62.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 71.099999999999994 111.501 -176.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.554 ' HG3' ' HB2' ' A' ' 30' ' ' SER . 52.4 ttp -73.96 -58.52 3.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.077 0.465 . . . . 63.340000000000003 110.457 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 pt -68.4 -32.93 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 112.872 0.693 . . . . 72.439999999999998 112.872 -175.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 88' ' ' ALA . 35.9 pt -70.25 -30.48 43.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 120.563 -0.455 . . . . 73.409999999999997 109.93 176.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.599 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 46.4 t80 -64.49 -47.37 79.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.819 -0.628 . . . . 63.350000000000001 109.884 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -58.71 -41.79 87.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.712 -0.676 . . . . 72.420000000000002 110.19 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.17 -47.16 77.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.019 -0.537 . . . . 72.239999999999995 110.937 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -52.36 -41.8 63.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.44 -0.345 . . . . 74.129999999999995 111.163 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 82.4 mt -57.36 -47.7 80.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.315 0.578 . . . . 74.519999999999996 110.854 178.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -77.31 -33.23 55.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.265 -0.88 . . . . 74.420000000000002 111.474 -174.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 m -78.74 -35.32 44.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.451 -0.341 . . . . 71.430000000000007 111.298 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 40.8 tp . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 120.918 0.389 . . . . 75.340000000000003 110.76 -179.406 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.4 ttp . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 120.933 0.397 . . . . 52.200000000000003 110.501 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.03 139.12 51.66 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.938 -0.393 . . . . 74.040000000000006 109.938 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -133.31 -26.68 1.64 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.704 0.288 . . . . 63.409999999999997 111.503 -176.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -95.83 106.16 18.26 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.181 0.438 . . . . 73.450000000000003 112.181 -170.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -142.52 88.78 2.1 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.97 -0.752 . . . . 74.120000000000005 108.97 171.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.0 p -158.11 123.76 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.936 -0.574 . . . . 74.409999999999997 111.162 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.0 p -154.51 140.56 11.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.748 -0.66 . . . . 71.540000000000006 109.297 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -152.51 97.91 2.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.477 0.656 . . . . 62.43 111.537 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.505 ' HZ2' ' HB3' ' A' ' 9' ' ' LYS . 3.6 ttpm? -163.31 91.17 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.523 -0.762 . . . . 75.209999999999994 109.733 174.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.4 m -122.47 21.53 10.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.167 -0.47 . . . . 75.129999999999995 110.191 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.3 m -81.19 83.13 6.89 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 121.464 0.65 . . . . 70.420000000000002 111.584 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 t -148.28 134.51 19.41 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.207 -1.034 . . . . 74.0 108.207 174.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -106.95 -29.04 9.69 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.66 -0.416 . . . . 51.439999999999998 111.273 -171.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.68 53.0 5.19 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.702 -0.761 . . . . 63.439999999999998 111.63 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.4 m -73.91 -28.18 61.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.922 0.392 . . . . 73.409999999999997 110.411 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.28 132.62 37.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.104 -0.498 . . . . 72.409999999999997 110.112 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.6 pt -76.03 100.19 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.433 0.635 . . . . 74.530000000000001 111.308 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -128.29 133.28 48.72 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.698 -0.683 . . . . 63.32 109.823 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.491 HD13 ' HB3' ' A' ' 95' ' ' LEU . 6.3 mt -78.88 -19.15 13.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.187 0.518 . . . . 71.120000000000005 109.942 -178.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.46 28.7 7.0 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.89 -0.671 . . . . 72.140000000000001 111.487 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.548 HG23 ' H ' ' A' ' 22' ' ' VAL . 2.0 m -98.6 172.71 7.32 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.189 -0.301 . . . . 72.439999999999998 110.189 -178.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.548 ' H ' HG23 ' A' ' 21' ' ' THR . 27.6 m -73.89 169.76 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.214 0.531 . . . . 73.209999999999994 111.724 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.649 HG21 HG21 ' A' ' 91' ' ' ILE . 3.9 mp -107.18 130.46 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.77 -0.65 . . . . 74.299999999999997 110.384 -177.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -82.77 119.5 24.42 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.569 -0.53 . . . . 61.200000000000003 109.569 173.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 26' ' ' ASP . 6.2 t30 -109.76 112.9 25.22 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.297 -0.41 . . . . 52.210000000000001 111.49 -175.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 15.1 t70 179.22 -48.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 O-C-N 123.95 0.781 . . . . 72.299999999999997 110.133 170.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -127.09 -179.38 4.83 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.57 0.7 . . . . 63.530000000000001 111.779 -175.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 p -120.8 -14.7 8.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.651 -1.159 . . . . 73.219999999999999 108.688 169.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 97.9 m -98.28 119.22 36.57 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.148 -0.933 . . . . 70.530000000000001 109.595 173.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.6 t -97.78 148.53 23.29 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.904 -0.406 . . . . 70.439999999999998 109.904 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -122.64 113.24 18.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.915 -0.772 . . . . 72.540000000000006 108.915 -178.698 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.564 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 92.9 t80 -103.87 116.36 32.14 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.669 -0.696 . . . . 75.209999999999994 110.45 -176.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.534 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 1.3 p -114.2 135.22 54.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.0 -0.546 . . . . 74.319999999999993 111.585 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.69 147.42 31.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.147 -0.933 . . . . 74.519999999999996 109.253 174.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -108.59 124.74 50.95 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.774 -0.454 . . . . 73.010000000000005 109.774 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.469 ' HB3' ' CB ' ' A' ' 41' ' ' GLU . 94.8 m-85 -119.91 166.07 13.8 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.123 -0.49 . . . . 64.140000000000001 110.071 -177.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.0 -30.29 50.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.202 0.314 . . . . 65.129999999999995 111.504 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.9 p -131.12 155.5 46.87 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 121.058 -0.257 . . . . 62.240000000000002 110.437 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -62.6 -26.39 68.58 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.723 -0.473 . . . . 74.040000000000006 109.723 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -58.97 -53.43 58.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.675 -0.693 . . . . 74.310000000000002 110.428 173.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.469 ' CB ' ' HB3' ' A' ' 36' ' ' PHE . 16.1 mm-40 -52.71 -34.04 50.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.621 -0.718 . . . . 55.229999999999997 111.055 177.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.95 -51.97 28.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.908 -0.587 . . . . 54.43 110.879 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.67 -23.93 61.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 111.584 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.7 m -71.07 -34.11 70.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.862 0.363 . . . . 64.540000000000006 110.275 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -76.7 -27.31 55.45 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.651 -0.5 . . . . 72.540000000000006 109.651 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.699 ' HE3' ' HB3' ' A' ' 80' ' ' ALA . 42.1 tpp -60.57 -32.91 71.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.738 -0.664 . . . . 73.329999999999998 110.647 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 38.4 m -54.73 -53.6 52.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.002 -0.544 . . . . 73.299999999999997 111.177 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.494 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 14.0 ptmt -70.74 -26.82 63.54 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.81 -0.356 . . . . 74.5 111.485 -177.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.25 -41.99 98.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.291 -0.263 . . . . 74.230000000000004 110.291 172.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.542 ' HE2' HG13 ' A' ' 65' ' ' VAL . 25.9 mmtp -63.1 -41.12 99.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.596 0.236 . . . . 75.420000000000002 111.016 175.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.494 ' OE1' ' HA ' ' A' ' 48' ' ' LYS . 43.9 mt-10 -59.07 -44.42 91.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.137 0.494 . . . . 71.109999999999999 109.989 177.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.542 HD22 HD23 ' A' ' 100' ' ' LEU . 65.1 mt -70.67 -37.47 73.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.485 -0.779 . . . . 74.109999999999999 111.644 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.95 87.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.413 -0.358 . . . . 73.439999999999998 111.115 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.35 -30.39 71.22 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.306 -0.406 . . . . 65.209999999999994 111.468 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.09 -46.12 24.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.357 -0.383 . . . . 44.340000000000003 110.775 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.75 -50.79 47.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.067 -0.515 . . . . 63.509999999999998 111.339 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.5 p -114.36 120.61 40.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.911 -0.586 . . . . 63.109999999999999 110.07 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 m -71.71 -84.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.381 -0.372 . . . . 72.140000000000001 110.346 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 54.16 -164.97 0.1 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.948 0.88 . . . . 62.0 111.376 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.57 -50.37 11.67 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.689 -1.142 . . . . 63.119999999999997 110.005 175.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -130.0 17.56 5.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.853 -0.612 . . . . 73.420000000000002 110.719 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.35 -176.78 38.89 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.876 -0.678 . . . . 72.329999999999998 112.054 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 83' ' ' THR . . . -67.5 167.87 11.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.884 0.373 . . . . 75.349999999999994 111.204 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.753 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 23.3 m -72.6 140.5 48.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.135 -0.484 . . . . 73.219999999999999 110.139 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.542 HG13 ' HE2' ' A' ' 50' ' ' LYS . 4.7 p -135.88 116.46 18.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.569 0.7 . . . . 64.299999999999997 111.368 -176.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.23 106.96 13.86 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.496 -0.775 . . . . 63.039999999999999 109.119 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.51 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 46.0 p90 -101.11 147.55 26.1 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.087 0.47 . . . . 73.439999999999998 111.69 -171.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.56 ' HD2' ' HB3' ' A' ' 79' ' ' ASP . 77.7 mttt -106.58 138.96 41.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.564 -0.744 . . . . 75.439999999999998 109.958 173.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.1 mt -134.82 103.67 4.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 114.897 -1.047 . . . . 75.030000000000001 109.006 172.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.677 ' HE3' HD21 ' A' ' 72' ' ' LEU . 63.3 tttp -105.06 119.12 38.24 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.103 0.478 . . . . 72.099999999999994 110.111 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.45 96.11 7.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.97 -1.014 . . . . 74.319999999999993 109.29 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.677 HD21 ' HE3' ' A' ' 70' ' ' LYS . 96.9 mt -96.17 -176.05 3.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.174 0.512 . . . . 75.230000000000004 111.025 -177.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.84 97.22 10.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.827 -0.624 . . . . 74.099999999999994 110.4 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.07 -15.95 57.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.627 -0.797 . . . . 72.140000000000001 112.588 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.493 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 14.5 pt20 -152.6 176.26 11.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.74 0.305 . . . . 73.129999999999995 110.206 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.7 m -138.15 154.46 28.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.191 -0.458 . . . . 51.299999999999997 110.368 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -102.72 114.98 29.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.198 -0.455 . . . . 61.109999999999999 110.483 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -104.34 111.08 23.57 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.282 -1.007 . . . . 73.450000000000003 108.282 173.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.564 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 37.8 t70 -133.73 103.1 5.72 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.935 -0.575 . . . . 71.329999999999998 109.811 -177.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.699 ' HB3' ' HE3' ' A' ' 46' ' ' MET . . . -102.95 124.52 48.61 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.19 -0.459 . . . . 62.420000000000002 111.276 -175.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.35 113.68 25.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.802 -0.635 . . . . 74.430000000000007 110.389 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.494 ' O ' ' HA ' ' A' ' 29' ' ' THR . 79.3 m-85 -103.02 112.77 25.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.854 -0.612 . . . . 75.030000000000001 110.723 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.753 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 86.0 m -90.15 104.36 16.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.162 -0.472 . . . . 64.319999999999993 110.33 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.476 ' HB3' ' HG3' ' A' ' 89' ' ' GLU . 96.5 m-85 -91.34 167.45 12.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.932 -0.576 . . . . 64.209999999999994 110.198 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -92.17 -28.72 16.89 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.426 0.632 . . . . 75.030000000000001 109.548 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.631 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 4.0 m -122.85 163.04 21.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.644 -0.707 . . . . 64.319999999999993 109.546 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.534 ' O ' HG12 ' A' ' 91' ' ' ILE . 24.4 tt0 -81.88 -32.56 30.99 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.713 -0.395 . . . . 72.340000000000003 109.941 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.81 -50.02 69.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.751 -0.659 . . . . 60.140000000000001 111.004 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.631 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 7.0 pt-20 -67.67 -25.84 65.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.455 . . . . 73.409999999999997 111.367 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.5 tmm? -73.24 -53.62 10.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.815 0.34 . . . . 72.129999999999995 110.619 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.649 HG21 HG21 ' A' ' 23' ' ' ILE . 19.5 pt -63.75 -40.92 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.166 0.432 . . . . 61.450000000000003 112.166 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 pp -66.32 -29.03 45.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 120.983 0.42 . . . . 73.109999999999999 110.685 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.544 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 75.8 t80 -62.63 -48.29 80.02 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.492 -0.559 . . . . 71.310000000000002 109.492 174.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -56.66 -41.62 77.54 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.987 -0.551 . . . . 73.230000000000004 111.091 174.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 42.6 mt -61.66 -52.37 64.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.074 -0.512 . . . . 74.310000000000002 110.192 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.4 m -53.69 -41.48 66.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.66 -0.7 . . . . 60.219999999999999 111.364 175.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 93.7 mt -58.87 -46.76 87.01 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.936 0.398 . . . . 65.299999999999997 110.548 177.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 102' ' ' LEU . 57.3 mtp180 -64.26 -29.9 70.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.703 -0.68 . . . . 74.329999999999998 111.408 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.3 t -80.64 -42.99 21.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.077 -0.51 . . . . 74.239999999999995 111.31 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.542 HD23 HD22 ' A' ' 52' ' ' LEU . 15.6 tp -90.63 -56.8 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 72.25 111.64 -173.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.89 -38.54 45.53 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.654 -0.498 . . . . 72.129999999999995 109.654 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 98' ' ' ARG . 0.6 OUTLIER 65.74 -59.41 0.3 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 114.76 -1.109 . . . . 74.420000000000002 113.193 176.597 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -75.47 78.37 2.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.781 0.8 . . . . 71.049999999999997 112.133 -171.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -116.44 53.54 0.87 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.449 -1.685 . . . . 73.109999999999999 106.449 165.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 66.8 -81.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 113.809 -1.541 . . . . 73.409999999999997 109.829 -167.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -177.08 -84.02 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.759 0.314 . . . . 65.430000000000007 110.339 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -101.98 87.45 3.1 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.655 -0.498 . . . . 72.319999999999993 109.655 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -82.18 -47.36 12.59 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.968 0.413 . . . . 70.239999999999995 110.093 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 8.1 m170 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 117.981 -1.009 . . . . 75.439999999999998 109.667 177.114 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 121.219 0.533 . . . . 64.439999999999998 110.107 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.72 104.9 6.47 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.048 -0.524 . . . . 60.530000000000001 110.337 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.471 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 24.9 ptp -113.41 -25.34 8.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.319 -0.401 . . . . 65.200000000000003 111.327 -176.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.471 ' HG3' ' HG3' ' A' ' 3' ' ' MET . 51.8 mtpt -138.12 121.67 17.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.892 0.377 . . . . 71.329999999999998 110.713 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -151.39 122.66 7.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.939 -0.573 . . . . 71.219999999999999 109.786 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.1 m -144.96 148.83 17.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.725 0.298 . . . . 71.430000000000007 110.86 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.1 p -128.77 87.86 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 122.158 0.98 . . . . 64.439999999999998 109.517 173.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -114.97 11.76 16.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.341 -0.845 . . . . 74.439999999999998 111.281 -173.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -108.94 107.54 17.95 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.662 -0.699 . . . . 61.340000000000003 109.561 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 p -145.41 94.89 2.58 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.277 0.561 . . . . 71.239999999999995 110.167 177.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.5 t -113.93 103.68 11.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.71 -0.677 . . . . 71.519999999999996 110.256 -177.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 m -95.46 118.45 32.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.989 -0.551 . . . . 64.450000000000003 110.088 177.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -159.78 169.89 22.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.191 -0.459 . . . . 75.439999999999998 109.833 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.76 96.99 1.87 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.614 -0.803 . . . . 74.430000000000007 113.353 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.1 m -111.39 108.36 17.91 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.182 -0.673 . . . . 73.200000000000003 109.182 173.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -128.93 178.79 6.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.96 0.41 . . . . 64.450000000000003 111.053 -175.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.1 tt -81.27 111.22 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.68 0.753 . . . . 75.420000000000002 110.294 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -102.58 106.42 17.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.358 -0.837 . . . . 65.400000000000006 110.416 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.5 mm -61.37 -34.88 63.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.569 -0.741 . . . . 75.0 110.361 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.95 -70.33 2.33 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.589 -0.732 . . . . 73.439999999999998 113.557 174.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -79.33 -11.97 59.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.302 0.572 . . . . 63.009999999999998 112.028 -171.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.513 ' O ' HD13 ' A' ' 23' ' ' ILE . 42.9 t -131.06 84.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.157 -0.474 . . . . 71.209999999999994 110.492 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.513 HD13 ' O ' ' A' ' 22' ' ' VAL . 1.5 mp -128.56 126.5 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.023 -0.535 . . . . 72.030000000000001 109.863 177.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -111.69 -163.2 0.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.128 -0.693 . . . . 74.219999999999999 109.128 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -167.56 40.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.053 0.454 . . . . 73.409999999999997 110.823 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -83.8 96.55 8.79 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.038 -0.528 . . . . 64.040000000000006 111.519 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 71.95 161.73 0.24 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.355 -0.839 . . . . 74.540000000000006 111.454 175.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 p -96.45 -6.03 38.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.348 0.594 . . . . 71.239999999999995 110.043 175.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 85.3 m -109.52 128.36 55.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.321 -0.854 . . . . 73.25 109.956 176.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 t -97.65 117.55 32.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.273 -0.421 . . . . 61.25 110.259 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 28.8 mmmt -101.15 113.34 26.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.887 -0.597 . . . . 73.310000000000002 110.231 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -116.56 121.56 42.12 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.815 -0.629 . . . . 74.219999999999999 110.213 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.9 p -127.38 122.46 33.71 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.248 0.547 . . . . 63.130000000000003 111.275 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.479 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -141.2 144.75 34.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.88 -0.6 . . . . 74.439999999999998 110.321 178.65 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 70.2 m-85 -104.99 130.08 53.28 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.297 -0.41 . . . . 72.420000000000002 110.179 -178.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -126.37 -174.64 3.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.776 -0.647 . . . . 75.420000000000002 109.734 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.46 ' HB2' ' HG3' ' A' ' 41' ' ' GLU . . . -76.42 -70.5 0.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.871 0.367 . . . . 51.119999999999997 111.809 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.7 p -111.1 166.71 10.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.784 0.326 . . . . 61.409999999999997 111.076 -174.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -57.29 -28.2 62.82 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.181 0.515 . . . . 73.519999999999996 110.381 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.42 -42.52 78.81 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.653 -0.703 . . . . 61.439999999999998 110.521 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.46 ' HG3' ' HB2' ' A' ' 37' ' ' ALA . 10.8 mm-40 -55.18 -33.37 62.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.353 -0.839 . . . . 74.129999999999995 110.339 175.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.682 ' HB3' HD23 ' A' ' 78' ' ' LEU . . . -74.92 -48.63 23.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.399 -0.818 . . . . 64.319999999999993 110.451 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -56.64 -43.22 80.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.799 -0.637 . . . . 71.209999999999994 110.693 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.0 m -65.22 -30.9 71.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.636 -0.711 . . . . 74.140000000000001 111.595 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.467 ' O ' HD23 ' A' ' 49' ' ' LEU . 34.1 t80 -79.62 -34.27 40.74 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 120.383 -0.527 . . . . 75.200000000000003 109.706 -177.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.499 ' HG3' ' HE3' ' A' ' 50' ' ' LYS . 40.4 tpp -67.59 -24.75 65.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.987 -0.551 . . . . 73.209999999999994 110.84 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 39.6 m -57.39 -46.53 83.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.331 -0.395 . . . . 63.520000000000003 111.882 -178.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -70.78 -27.7 64.11 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.758 -0.377 . . . . 70.530000000000001 111.087 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.662 HD11 ' HZ ' ' A' ' 93' ' ' PHE . 4.5 mm? -65.92 -29.81 70.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.354 . . . . 73.409999999999997 110.599 176.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.499 ' HE3' ' HG3' ' A' ' 46' ' ' MET . 2.2 mptm? -59.15 -49.38 78.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.355 -0.384 . . . . 74.239999999999995 110.773 176.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -60.81 -45.37 94.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 71.439999999999998 110.4 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.99 -47.15 78.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.313 -0.858 . . . . 75.129999999999995 111.316 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.56 78.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.747 0.308 . . . . 61.329999999999998 111.467 -177.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.41 -33.37 74.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.323 -0.399 . . . . 74.329999999999998 111.135 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.28 -30.63 23.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.252 -0.431 . . . . 64.299999999999997 111.288 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.09 -2.58 52.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 74.310000000000002 112.084 -175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.5 p -111.49 103.07 11.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.499 0.666 . . . . 74.400000000000006 110.59 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.7 m -103.08 -6.7 22.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.66 -0.7 . . . . 63.149999999999999 110.49 -178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.74 83.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.551 . . . . 65.209999999999994 110.12 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 27.8 t70 -177.1 -87.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.6 -0.727 . . . . 72.329999999999998 109.818 175.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 27.5 mt-10 -161.44 7.32 0.07 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.303 -0.862 . . . . 73.120000000000005 108.882 176.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.34 60.42 4.71 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.14 -0.936 . . . . 72.549999999999997 112.686 -174.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.28 123.58 43.68 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.063 -0.717 . . . . 75.209999999999994 109.063 174.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.528 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 68.0 m -98.58 100.52 11.76 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 120.845 0.355 . . . . 71.5 110.636 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 p -100.5 115.89 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-O 121.595 0.712 . . . . 73.329999999999998 110.392 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.24 96.25 5.7 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.175 -0.92 . . . . 72.430000000000007 109.45 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.528 ' HA ' ' O ' ' A' ' 79' ' ' ASP . 15.9 p90 -117.78 139.51 50.97 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.612 -0.435 . . . . 74.129999999999995 110.54 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.821 ' HG2' ' HB3' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -115.91 154.08 30.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.849 -0.614 . . . . 64.120000000000005 109.57 176.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 64.7 mt -112.73 103.92 16.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 N-CA-C 108.901 -0.777 . . . . 73.420000000000002 108.901 172.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.78 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 22.2 tptm -80.85 103.04 10.41 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.395 0.617 . . . . 75.299999999999997 109.946 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.513 ' HA ' HG12 ' A' ' 76' ' ' VAL . 17.3 t70 -78.98 108.54 12.54 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.563 -1.199 . . . . 71.450000000000003 110.105 -176.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.495 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 28.8 mt -119.05 171.51 8.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.046 -0.524 . . . . 65.140000000000001 109.633 177.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -84.93 106.24 16.29 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.715 -0.675 . . . . 72.450000000000003 110.714 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.34 -10.2 61.31 Favored Glycine 0 C--O 1.237 0.312 0 C-N-CA 121.127 -0.559 . . . . 65.140000000000001 112.847 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 12.3 pt20 -167.45 165.66 14.72 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.231 -0.285 . . . . 75.010000000000005 110.231 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 71' ' ' ASP . 28.2 m -136.72 154.66 32.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.651 -0.25 . . . . 70.200000000000003 110.386 178.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.78 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 37.0 tt0 -105.73 115.08 29.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.056 -0.52 . . . . 73.420000000000002 110.13 175.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.682 HD23 ' HB3' ' A' ' 42' ' ' ALA . 3.1 tm? -90.36 109.78 20.88 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.977 -1.12 . . . . 71.299999999999997 107.977 173.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.821 ' HB3' ' HG2' ' A' ' 68' ' ' LYS . 11.7 t70 -115.63 108.86 16.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.57 -0.741 . . . . 73.439999999999998 110.082 -173.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.68 141.34 47.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.174 0.511 . . . . 73.540000000000006 111.984 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -130.79 109.74 10.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.588 -0.733 . . . . 61.340000000000003 109.85 174.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 29' ' ' THR . 88.6 m-85 -103.61 111.62 24.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.575 -0.284 . . . . 74.239999999999995 110.691 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.528 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 90.4 m -102.75 115.12 29.96 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.797 0.332 . . . . 74.209999999999994 110.202 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -100.76 160.51 14.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.29 -0.413 . . . . 74.400000000000006 110.858 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -66.72 -36.15 81.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.936 -0.575 . . . . 74.140000000000001 110.565 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.706 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 33.8 m -118.91 148.71 42.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.819 -0.628 . . . . 71.439999999999998 109.631 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.415 ' O ' HG12 ' A' ' 91' ' ' ILE . 52.6 tt0 -69.08 -28.96 66.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.941 0.4 . . . . 64.25 110.081 176.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.485 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.39 -41.04 72.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.635 -0.711 . . . . 73.150000000000006 111.032 177.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.706 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 1.6 mm-40 -64.39 -32.02 73.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.534 . . . . 64.099999999999994 110.353 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 8.5 tmm? -71.6 -51.03 25.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 62.409999999999997 110.299 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.545 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.4 pt -66.13 -38.25 81.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.29 0.478 . . . . 65.329999999999998 112.29 -176.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 88' ' ' ALA . 30.8 pt -67.06 -29.46 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 O-C-N 121.887 -0.508 . . . . 73.319999999999993 110.106 176.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.662 ' HZ ' HD11 ' A' ' 49' ' ' LEU . 88.0 t80 -69.22 -51.24 39.73 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.537 -0.756 . . . . 74.25 110.902 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -67.75 -32.86 73.75 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 111.774 0.287 . . . . 74.430000000000007 111.774 -177.042 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 88.2 mt -61.43 -49.79 75.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.014 0.435 . . . . 71.540000000000006 110.358 174.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.9 m -57.93 -32.29 67.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.475 -0.784 . . . . 73.430000000000007 111.669 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 87.0 mt -62.7 -47.69 82.52 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.009 0.433 . . . . 71.450000000000003 110.896 178.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.626 ' O ' ' HB3' ' A' ' 102' ' ' LEU . 66.7 mtt85 -70.22 -37.39 75.01 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.721 -0.672 . . . . 75.239999999999995 111.274 -176.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.9 m -79.4 9.17 5.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.953 0.406 . . . . 63.5 111.439 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.6 tp -121.29 -62.08 1.47 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.945 0.402 . . . . 55.109999999999999 110.858 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.04 35.99 3.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.877 -0.602 . . . . 72.219999999999999 110.612 -175.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.629 ' H ' HD21 ' A' ' 102' ' ' LEU . 1.2 pt? -53.6 -53.7 48.05 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.912 -0.585 . . . . 64.040000000000006 111.993 178.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.502 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 42.4 mt-10 60.39 -77.88 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.207 0.603 . . . . 62.409999999999997 111.167 -173.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -78.7 126.41 30.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.689 -0.687 . . . . 74.129999999999995 110.41 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -84.91 153.58 22.77 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.894 0.378 . . . . 75.340000000000003 110.78 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -161.13 122.33 2.88 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.994 -0.548 . . . . 62.009999999999998 109.556 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -145.35 95.73 2.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.217 0.532 . . . . 71.340000000000003 110.26 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -161.7 123.65 2.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.839 -0.618 . . . . 72.040000000000006 109.749 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 . . . . . 0 C--O 1.244 0.792 0 CA-C-O 118.374 -0.822 . . . . 72.140000000000001 110.039 178.877 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.0 mtp . . . . . 0 N--CA 1.479 0.975 0 CA-C-O 120.944 0.402 . . . . 72.299999999999997 110.349 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.93 50.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.107 -0.951 . . . . 74.209999999999994 109.37 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.1 ttt -91.04 107.93 19.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.266 0.555 . . . . 72.439999999999998 111.868 -173.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 12.13 18.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.419 -0.809 . . . . 75.140000000000001 108.994 173.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -56.32 121.44 9.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.201 -0.909 . . . . 72.239999999999995 111.41 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.83 133.95 5.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.877 -0.601 . . . . 64.400000000000006 110.464 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -125.1 121.38 60.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.902 -0.59 . . . . 74.340000000000003 109.526 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -90.05 103.71 16.35 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.943 -0.391 . . . . 74.219999999999999 109.943 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -166.5 88.56 0.36 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.449 -0.796 . . . . 72.25 109.672 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.6 t -118.1 150.28 39.6 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.783 -0.644 . . . . 74.209999999999994 109.954 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.5 t -128.43 138.13 52.17 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.837 -0.431 . . . . 75.409999999999997 109.837 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -158.26 146.5 18.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.404 -0.362 . . . . 70.420000000000002 110.105 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -168.49 173.8 7.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.478 -0.328 . . . . 65.099999999999994 110.434 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.82 49.24 1.66 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.592 -0.813 . . . . 44.219999999999999 112.293 176.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.1 m -89.52 93.49 9.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.233 0.54 . . . . 70.239999999999995 110.552 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -141.27 22.77 2.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.802 -0.636 . . . . 63.43 109.685 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.5 mm 73.74 110.57 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 CA-C-N 114.858 -1.065 . . . . 74.329999999999998 110.392 -175.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -134.09 126.25 29.7 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.255 -1.339 . . . . 75.099999999999994 109.964 -175.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.587 HD11 ' HB2' ' A' ' 95' ' ' LEU . 6.8 pt -122.32 99.47 6.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.377 0.608 . . . . 74.209999999999994 110.964 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.15 84.9 0.37 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.792 -0.718 . . . . 53.439999999999998 112.263 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -155.96 153.26 29.29 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.931 -0.396 . . . . 72.340000000000003 109.931 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.9 t 62.01 86.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 121.396 0.617 . . . . 64.349999999999994 110.93 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.6 mp -79.88 93.0 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.353 0.597 . . . . 54.200000000000003 109.783 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -92.33 88.65 6.51 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.474 -0.785 . . . . 72.010000000000005 109.6 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -81.41 143.34 32.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.65 -0.705 . . . . 75.25 111.418 -176.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -166.38 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.963 -1.017 . . . . 74.519999999999996 108.827 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -138.56 -178.33 5.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.394 -0.821 . . . . 62.329999999999998 109.248 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 63.1 m -100.68 11.75 38.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.987 0.898 . . . . 64.230000000000004 109.112 172.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.8 m -127.83 130.84 49.3 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.172 -1.376 . . . . 73.140000000000001 108.867 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.2 t -97.77 113.27 25.01 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.01 0.433 . . . . 65.129999999999995 110.628 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -98.06 112.68 24.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.688 -0.687 . . . . 65.25 109.444 173.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -123.72 118.03 26.29 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.177 -0.465 . . . . 73.329999999999998 110.15 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.4 m -117.44 131.55 56.73 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.204 0.526 . . . . 63.399999999999999 110.58 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.58 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 2.9 mmp_? -134.21 150.35 51.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.79 -0.641 . . . . 55.219999999999999 110.602 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -107.46 132.29 53.37 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.797 -0.445 . . . . 74.140000000000001 109.797 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -127.84 171.51 11.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.316 -0.402 . . . . 74.329999999999998 110.32 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.42 -54.55 13.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.821 0.344 . . . . 62.229999999999997 111.31 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.2 p -128.16 167.47 16.77 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 121.05 -0.26 . . . . 72.420000000000002 110.517 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -60.34 -25.63 65.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.175 0.512 . . . . 71.129999999999995 110.097 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -61.45 -51.04 70.33 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.352 -0.84 . . . . 75.540000000000006 110.338 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.62 -31.2 62.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.92 -1.036 . . . . 72.439999999999998 110.753 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.63 -52.79 9.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.455 -0.793 . . . . 75.239999999999995 111.392 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.48 -33.93 75.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.319 -0.401 . . . . 72.540000000000006 111.1 -177.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.8 m -62.94 -28.24 69.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.992 0.425 . . . . 71.299999999999997 111.07 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.543 ' O ' HD23 ' A' ' 49' ' ' LEU . 74.0 t80 -79.96 -36.57 35.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 61.229999999999997 110.59 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 42.1 tpp -71.06 -29.62 65.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.127 -0.488 . . . . 74.400000000000006 111.924 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.628 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 28.1 m -53.79 -51.81 62.27 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.935 0.346 . . . . 73.519999999999996 111.935 -177.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -73.58 -28.12 61.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.809 0.338 . . . . 63.140000000000001 111.243 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 45' ' ' PHE . 3.8 mm? -62.86 -36.89 84.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.385 -0.37 . . . . 74.329999999999998 110.644 176.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.628 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 32.9 mttt -58.03 -42.91 86.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 63.149999999999999 110.962 176.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -68.28 -45.48 72.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 73.310000000000002 110.141 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.24 -38.34 88.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.654 -0.703 . . . . 63.350000000000001 111.138 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.47 -33.05 73.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 65.450000000000003 111.492 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.792 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . . . -70.47 -45.29 66.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.908 0.385 . . . . 63.25 110.787 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.94 82.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.782 -0.645 . . . . 71.25 111.716 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.91 -13.11 48.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.986 0.365 . . . . 65.340000000000003 111.986 -176.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 82.3 p -74.17 139.68 44.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.115 0.483 . . . . 74.340000000000003 110.884 -177.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.55 -26.66 68.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.571 -0.741 . . . . 63.409999999999997 111.152 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.446 ' C ' ' H ' ' A' ' 61' ' ' GLU . . . -92.18 -1.73 56.97 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.464 0.542 . . . . 73.010000000000005 112.464 -173.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.32 -26.02 0.16 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.192 0.812 . . . . 72.120000000000005 113.192 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' H ' ' C ' ' A' ' 59' ' ' ALA . 9.6 mm-40 -66.55 -56.37 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.335 0.588 . . . . 71.540000000000006 110.482 177.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.792 ' HA2' ' HA ' ' A' ' 54' ' ' ALA . . . 163.74 159.39 10.72 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 115.191 -0.913 . . . . 62.229999999999997 110.915 -177.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -87.01 153.7 21.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.807 0.304 . . . . 74.140000000000001 110.487 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.828 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 19.8 m -65.55 97.93 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.242 -0.436 . . . . 74.420000000000002 109.836 176.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.469 HG22 ' HD2' ' A' ' 67' ' ' TYR . 4.3 p -103.22 116.94 47.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.516 0.674 . . . . 74.5 111.084 -177.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.14 100.82 9.15 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.445 -0.798 . . . . 61.219999999999999 109.0 172.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.469 ' HD2' HG22 ' A' ' 65' ' ' VAL . 44.0 p90 -112.68 143.4 43.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.915 0.388 . . . . 74.420000000000002 111.132 -175.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -135.02 154.08 51.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.75 -0.659 . . . . 71.129999999999995 110.584 175.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.9 mt -132.15 114.47 24.01 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.098 -0.955 . . . . 73.019999999999996 109.931 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -104.15 119.67 39.46 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.265 -0.425 . . . . 73.120000000000005 110.301 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.538 ' HA ' HG13 ' A' ' 76' ' ' VAL . 8.1 m-20 -80.02 118.42 21.73 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.539 -0.755 . . . . 75.030000000000001 109.91 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.3 mt -111.24 -175.26 2.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.374 -0.375 . . . . 74.239999999999995 110.083 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -90.79 100.52 13.36 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.904 0.383 . . . . 73.439999999999998 110.496 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.66 -16.85 57.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.067 -0.587 . . . . 52.109999999999999 112.211 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -154.35 177.04 11.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.893 -0.41 . . . . 74.319999999999993 109.893 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.538 HG13 ' HA ' ' A' ' 71' ' ' ASP . 35.8 m -137.21 159.92 35.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 110.416 -0.216 . . . . 73.439999999999998 110.416 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -112.45 115.36 28.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.948 0.404 . . . . 74.340000000000003 110.503 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -93.41 115.94 28.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.237 -1.023 . . . . 65.049999999999997 108.237 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -116.23 117.75 30.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.01 -0.541 . . . . 72.230000000000004 110.412 -175.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.24 146.61 41.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.067 0.461 . . . . 65.099999999999994 111.551 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -142.6 106.28 4.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.647 -0.706 . . . . 73.129999999999995 109.827 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -109.58 112.31 24.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.419 -0.355 . . . . 75.040000000000006 110.741 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.828 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 19.3 m -94.4 108.71 20.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.236 -0.438 . . . . 72.420000000000002 110.364 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.595 ' HB3' ' HB3' ' A' ' 89' ' ' GLU . 97.4 m-85 -99.31 -13.52 19.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 72.219999999999999 110.611 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 m 74.98 -33.42 0.24 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.526 -1.215 . . . . 74.530000000000001 111.527 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 59.9 m -105.33 149.4 26.1 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.433 -0.581 . . . . 60.140000000000001 109.433 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.515 ' O ' HG12 ' A' ' 91' ' ' ILE . 17.0 tt0 -77.1 -31.75 56.13 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.193 -0.203 . . . . 74.129999999999995 111.259 -177.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.82 71.73 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.624 -0.51 . . . . 73.219999999999999 109.624 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.595 ' HB3' ' HB3' ' A' ' 84' ' ' PHE . 0.4 OUTLIER -54.55 -29.94 52.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.583 -0.735 . . . . 74.040000000000006 111.867 173.663 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -75.38 -49.92 17.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.545 -0.298 . . . . 73.319999999999993 110.735 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 87' ' ' GLN . 12.3 pt -70.39 -34.21 57.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 112.289 0.477 . . . . 60.049999999999997 112.289 -176.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.5 pt -65.92 -30.72 50.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.231 0.539 . . . . 73.230000000000004 110.073 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.63 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 34.4 t80 -69.2 -44.95 71.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.727 -0.67 . . . . 74.209999999999994 109.411 175.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 71.4 mm-40 -55.95 -52.73 63.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.622 -0.717 . . . . 74.409999999999997 111.28 176.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.587 ' HB2' HD11 ' A' ' 19' ' ' ILE . 98.0 mt -55.1 -42.15 72.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.325 -0.398 . . . . 72.549999999999997 111.08 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.8 m -63.53 -47.56 81.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 73.219999999999999 111.14 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 58.3 mt -62.03 -48.49 80.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.128 0.489 . . . . 73.430000000000007 111.239 -178.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 94' ' ' GLU . 87.9 mtt180 -67.53 -37.45 82.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.625 -0.716 . . . . 75.430000000000007 111.33 -171.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.6 m -75.22 -30.93 60.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.969 0.414 . . . . 73.230000000000004 111.075 -178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.9 tp -80.94 -30.57 35.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.083 0.468 . . . . 72.030000000000001 110.698 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.04 -1.48 54.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.011 -0.541 . . . . 74.310000000000002 111.491 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 98' ' ' ARG . 67.1 mt -58.98 -56.7 18.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.791 0.329 . . . . 72.25 110.969 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -90.08 -59.97 2.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.352 -0.385 . . . . 75.010000000000005 111.99 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -107.19 79.76 1.35 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.354 0.597 . . . . 65.150000000000006 112.468 -171.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -113.87 4.64 15.93 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.24 -1.022 . . . . 74.310000000000002 108.24 166.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -93.62 116.38 28.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.594 -1.184 . . . . 71.430000000000007 110.082 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -87.78 -89.64 0.13 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.399 -0.364 . . . . 73.450000000000003 110.202 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -117.48 -43.51 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.584 -0.525 . . . . 72.230000000000004 109.584 173.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 71.9 t60 . . . . . 0 C--O 1.245 0.858 0 CA-C-O 118.298 -0.858 . . . . 73.150000000000006 110.051 177.473 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.415 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.6 mpt? . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.901 0.382 . . . . 75.519999999999996 110.614 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.43 132.51 44.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.292 -0.413 . . . . 75.049999999999997 110.822 -177.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.1 mtp 60.86 94.78 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.752 0.658 . . . . 73.219999999999999 111.223 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -105.32 -56.76 2.13 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.618 -0.719 . . . . 70.530000000000001 111.015 -176.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.01 128.06 20.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.036 0.446 . . . . 74.25 111.256 -174.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.2 m -131.04 151.57 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.704 -0.68 . . . . 72.239999999999995 110.087 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 p -126.72 104.16 12.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.577 0.703 . . . . 65.400000000000006 110.511 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -88.78 114.97 25.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.693 0.759 . . . . 73.430000000000007 110.643 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.643 ' HB2' ' HZ2' ' A' ' 9' ' ' LYS . 8.6 mtmp? -91.65 107.4 19.18 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.868 -1.06 . . . . 63.210000000000001 110.111 -176.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.6 t -101.35 114.5 28.56 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.13 -0.486 . . . . 72.299999999999997 111.241 -177.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.0 p -84.99 93.27 8.54 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.387 -0.968 . . . . 74.209999999999994 108.387 169.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.9 m -68.99 89.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.822 -0.626 . . . . 75.120000000000005 111.77 -172.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 51.8 mtpt -114.49 -7.02 12.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.279 -0.873 . . . . 74.099999999999994 109.999 174.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -87.39 65.71 3.58 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.953 -0.642 . . . . 44.210000000000001 112.786 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 56.2 m -102.45 20.05 17.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.181 0.515 . . . . 73.540000000000006 110.14 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.92 -38.89 24.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.95 -0.568 . . . . 62.399999999999999 111.533 -177.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.428 HD13 ' O ' ' A' ' 17' ' ' ILE . 2.2 pp -128.34 150.99 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.907 0.384 . . . . 71.140000000000001 111.568 -177.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -105.88 89.23 3.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.018 -0.537 . . . . 74.25 109.92 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.572 HG21 ' HB3' ' A' ' 95' ' ' LEU . 35.2 mt -133.72 -59.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.919 -0.582 . . . . 74.450000000000003 110.313 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 142.9 -45.72 0.89 Allowed Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 111.162 -0.775 . . . . 50.140000000000001 111.162 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.9 m 69.79 112.18 0.05 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.5 0.667 . . . . 64.219999999999999 111.753 176.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 m -89.01 141.91 13.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.531 -0.759 . . . . 72.530000000000001 110.335 178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 23' ' ' ILE . 3.3 mp -87.55 102.11 12.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.145 0.498 . . . . 72.140000000000001 109.739 178.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -140.95 136.67 32.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.472 -0.785 . . . . 63.450000000000003 110.15 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -117.45 129.09 55.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.079 -0.51 . . . . 74.400000000000006 110.106 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -148.64 -75.45 0.17 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.579 -0.526 . . . . 73.319999999999993 109.579 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -145.6 -177.97 5.85 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.78 -0.822 . . . . 74.219999999999999 108.78 176.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 66.4 m -100.43 9.8 42.1 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.199 0.523 . . . . 70.140000000000001 109.635 176.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 12.3 m -98.43 121.13 39.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.658 -0.701 . . . . 62.310000000000002 110.719 -178.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 16.5 m -98.13 113.72 25.71 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.785 -0.643 . . . . 73.120000000000005 110.053 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.485 ' HZ2' ' CG ' ' A' ' 79' ' ' ASP . 14.8 mmmt -103.07 130.03 50.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.811 -0.631 . . . . 73.150000000000006 111.69 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 51.9 t80 -133.05 120.46 21.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.464 -0.569 . . . . 72.329999999999998 109.464 170.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -126.76 119.44 26.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.458 -0.337 . . . . 73.439999999999998 110.681 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -146.74 145.45 29.97 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.476 -0.194 . . . . 74.030000000000001 110.476 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -85.14 141.94 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.934 -0.395 . . . . 73.420000000000002 109.934 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.404 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 81.1 m-85 -128.44 159.75 34.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.261 -0.427 . . . . 75.319999999999993 110.526 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.28 96.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 51.549999999999997 111.511 -176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.7 p -136.47 160.39 38.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.511 -0.313 . . . . 74.219999999999999 110.195 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.529 ' HG3' HG21 ' A' ' 69' ' ' ILE . 69.1 ttt180 -59.67 -31.78 69.87 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.942 0.401 . . . . 72.329999999999998 109.934 174.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -54.86 -47.11 74.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.74 -0.664 . . . . 64.540000000000006 110.715 175.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 21.8 mm-40 -57.72 -30.64 65.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.421 -0.809 . . . . 62.229999999999997 110.993 177.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.46 ' HB1' HD22 ' A' ' 78' ' ' LEU . . . -75.85 -44.63 39.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.917 -0.583 . . . . 75.549999999999997 110.375 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 69.9 mm-40 -59.96 -45.0 94.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.786 -0.643 . . . . 63.420000000000002 110.059 177.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.3 m -66.32 -28.22 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.573 -0.74 . . . . 62.140000000000001 111.698 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.556 ' O ' HD23 ' A' ' 49' ' ' LEU . 50.3 t80 -74.09 -35.38 64.19 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.145 0.497 . . . . 73.430000000000007 109.762 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.444 ' HE1' ' HB2' ' A' ' 80' ' ' ALA . 35.2 tpp -67.9 -24.34 65.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.554 -0.748 . . . . 63.020000000000003 111.268 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.669 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 3.0 m -56.41 -49.35 74.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.286 -0.415 . . . . 60.340000000000003 111.556 -177.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -71.68 -29.88 65.08 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.682 -0.407 . . . . 65.420000000000002 110.714 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.1 mm? -61.03 -40.3 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 71.230000000000004 110.539 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.669 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 22.9 mttm -54.01 -51.09 65.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.697 -0.683 . . . . 74.040000000000006 111.682 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -69.6 -42.22 74.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.028 0.442 . . . . 74.239999999999995 111.319 -178.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.73 -41.69 99.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.769 -0.65 . . . . 74.340000000000003 111.584 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.83 94.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 63.5 111.149 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.46 91.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.985 -0.552 . . . . 75.209999999999994 111.025 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.53 -39.02 77.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 75.310000000000002 111.504 -177.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.526 ' HB1' HD11 ' A' ' 92' ' ' ILE . . . -58.45 -46.27 86.88 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.261 -0.427 . . . . 54.409999999999997 111.416 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.664 ' HB3' ' HA2' ' A' ' 62' ' ' GLY . 34.3 t -86.86 -36.99 18.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.27 -0.423 . . . . 71.340000000000003 111.348 -177.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m 66.08 6.07 3.92 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.687 -0.688 . . . . 53.240000000000002 111.701 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.85 38.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.511 -0.313 . . . . 71.310000000000002 111.05 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 66.11 -74.29 0.06 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.365 0.666 . . . . 64.340000000000003 111.713 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.25 -38.55 90.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.098 0.475 . . . . 73.329999999999998 110.303 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.664 ' HA2' ' HB3' ' A' ' 57' ' ' SER . . . 87.23 -93.63 1.9 Allowed Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.846 -0.693 . . . . 62.5 112.174 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.33 146.16 30.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.489 0.185 . . . . 71.109999999999999 110.773 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.7 m -73.54 123.15 23.4 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.365 -0.605 . . . . 73.349999999999994 109.365 173.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.645 HG22 ' HD2' ' A' ' 67' ' ' TYR . 4.6 p -102.35 116.64 46.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.643 0.735 . . . . 73.299999999999997 111.379 -175.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.66 96.85 6.2 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.377 -0.829 . . . . 73.109999999999999 109.046 172.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.645 ' HD2' HG22 ' A' ' 65' ' ' VAL . 48.8 p90 -109.71 132.68 53.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.271 0.558 . . . . 72.239999999999995 111.203 -175.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -109.06 134.99 50.95 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.524 -0.762 . . . . 61.119999999999997 110.293 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.529 HG21 ' HG3' ' A' ' 39' ' ' ARG . 60.1 mt -131.58 104.31 8.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 CA-C-N 114.989 -1.005 . . . . 65.140000000000001 108.936 177.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -98.53 117.63 33.41 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.556 -0.458 . . . . 71.340000000000003 110.29 -176.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.711 ' HA ' HG12 ' A' ' 76' ' ' VAL . 15.9 m-20 -72.32 102.12 3.05 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.148 -0.933 . . . . 64.209999999999994 109.383 177.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 31.2 mt -95.51 -172.59 2.67 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.967 -0.561 . . . . 74.140000000000001 109.502 -178.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -93.87 98.67 11.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.085 0.469 . . . . 75.420000000000002 110.349 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.44 -4.11 61.84 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.801 -0.714 . . . . 75.140000000000001 112.82 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 10.7 pt20 -168.6 179.13 4.42 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.987 -0.375 . . . . 73.239999999999995 109.987 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.711 HG12 ' HA ' ' A' ' 71' ' ' ASP . 34.3 m -139.43 163.09 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.577 0.227 . . . . 72.010000000000005 110.413 176.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -114.53 122.81 47.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.489 -0.323 . . . . 71.430000000000007 110.169 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.506 HD22 HG12 ' A' ' 69' ' ' ILE . 3.4 tm? -100.55 116.67 33.04 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.857 -0.794 . . . . 72.040000000000006 108.857 176.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.485 ' CG ' ' HZ2' ' A' ' 31' ' ' LYS . 25.2 t70 -128.97 110.07 11.76 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.885 -0.598 . . . . 71.239999999999995 110.257 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.444 ' HB2' ' HE1' ' A' ' 46' ' ' MET . . . -110.52 124.52 51.97 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.052 -0.522 . . . . 64.530000000000001 111.118 -176.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 30' ' ' SER . . . -117.97 108.51 15.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.529 . . . . 73.310000000000002 110.622 176.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.44 ' CE1' HD13 ' A' ' 49' ' ' LEU . 54.8 m-85 -99.37 131.15 45.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.231 -0.44 . . . . 62.409999999999997 110.667 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.9 m -96.15 104.97 16.95 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.108 -0.33 . . . . 71.040000000000006 110.108 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -92.1 -177.75 4.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 70.510000000000005 110.873 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 88.6 p -102.43 -31.9 10.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.208 0.528 . . . . 71.329999999999998 110.919 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.665 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 15.8 m -119.68 150.49 40.27 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.002 -0.544 . . . . 74.519999999999996 109.867 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.414 ' O ' HG12 ' A' ' 91' ' ' ILE . 53.0 tp60 -62.09 -40.89 97.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.091 0.472 . . . . 75.349999999999994 110.364 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.31 -37.03 66.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.515 -0.766 . . . . 64.049999999999997 111.139 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.665 ' HG3' ' HB2' ' A' ' 86' ' ' CYS . 47.2 mt-10 -65.52 -32.15 73.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 65.120000000000005 110.802 -177.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.2 ttt -68.74 -54.48 15.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.28 0.562 . . . . 74.219999999999999 110.76 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 87' ' ' GLN . 1.4 pt -67.74 -32.85 58.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.547 -0.751 . . . . 74.519999999999996 112.718 -174.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.526 HD11 ' HB1' ' A' ' 56' ' ' ALA . 2.6 pp -73.43 -30.74 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.305 -0.558 . . . . 70.310000000000002 110.708 175.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.666 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 39.9 t80 -70.16 -51.73 29.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.88 -0.6 . . . . 72.129999999999995 110.863 -176.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -59.98 -41.66 92.48 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.822 0.344 . . . . 53.340000000000003 111.11 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.572 ' HB3' HG21 ' A' ' 19' ' ' ILE . 90.4 mt -63.75 -48.04 78.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.218 -0.446 . . . . 71.340000000000003 110.584 178.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.4 t -59.3 -40.88 87.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 72.340000000000003 111.315 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.3 mt -57.3 -48.44 78.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.035 0.445 . . . . 63.030000000000001 111.139 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -77.47 -36.8 52.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.631 -0.713 . . . . 73.319999999999993 111.115 -175.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 m -85.62 2.24 45.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 55.450000000000003 111.351 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.6 tp -73.01 -40.1 65.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.268 0.556 . . . . 70.340000000000003 109.717 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.86 -29.23 21.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.616 -0.72 . . . . 72.129999999999995 109.714 174.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 68.6 mt -103.84 72.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.451 -0.795 . . . . 61.340000000000003 109.642 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.26 -32.42 64.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.92 -0.582 . . . . 74.439999999999998 110.544 -174.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -74.98 105.72 6.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.131 -0.486 . . . . 71.439999999999998 110.383 175.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -125.1 26.65 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.313 0.577 . . . . 62.200000000000003 110.161 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -133.54 98.71 4.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.487 -0.779 . . . . 70.340000000000003 110.246 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -80.72 106.09 12.46 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.945 -0.571 . . . . 71.0 110.045 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -88.99 178.26 6.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.133 -0.485 . . . . 72.129999999999995 109.845 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.604 -0.712 . . . . 74.450000000000003 109.826 175.223 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.823 0.344 . . . . 72.209999999999994 110.484 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.75 13.56 17.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.118 -0.492 . . . . 52.310000000000002 111.942 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.7 tpt -81.99 75.93 8.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.168 0.508 . . . . 65.200000000000003 109.861 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -146.81 60.6 1.2 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.514 -0.766 . . . . 63.009999999999998 110.366 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -142.31 144.86 33.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.175 -0.466 . . . . 63.539999999999999 109.928 177.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.1 m -137.79 46.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.45 0.643 . . . . 73.099999999999994 110.379 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.2 p -88.54 102.25 12.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.619 -0.719 . . . . 73.109999999999999 111.764 -175.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -158.12 108.86 2.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.652 -0.704 . . . . 72.430000000000007 109.786 173.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -167.49 84.68 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.771 -0.65 . . . . 74.209999999999994 110.171 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 50.1 t -103.24 -44.1 5.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.837 -0.619 . . . . 73.200000000000003 109.876 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.1 m -85.17 101.14 12.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.723 -0.672 . . . . 72.150000000000006 109.712 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -120.69 6.7 10.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.95 -0.568 . . . . 72.319999999999993 110.76 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -139.85 126.96 21.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.134 -0.485 . . . . 63.420000000000002 110.822 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.74 -39.07 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.014 -0.612 . . . . 61.25 111.908 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -82.95 83.69 7.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.067 0.46 . . . . 64.340000000000003 110.265 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.38 -16.22 43.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.093 -0.503 . . . . 64.049999999999997 110.952 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.5 tt -78.45 126.87 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.984 -0.553 . . . . 72.340000000000003 110.956 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -146.77 126.11 13.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.831 -0.803 . . . . 72.340000000000003 108.831 176.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.9 mm -95.48 -42.17 12.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 O-C-N 123.302 0.376 . . . . 74.340000000000003 111.621 -171.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.68 91.7 0.56 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.519 -0.848 . . . . 73.129999999999995 111.762 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.0 m -153.77 131.47 11.52 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.074 -0.343 . . . . 74.219999999999999 110.074 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.1 t -84.14 115.21 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.048 0.451 . . . . 74.120000000000005 110.117 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.4 pt -77.78 156.79 5.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.944 -0.571 . . . . 73.420000000000002 111.463 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -81.53 -7.48 59.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.871 -0.604 . . . . 73.129999999999995 109.901 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 68.87 85.63 0.14 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 114.952 -1.022 . . . . 72.120000000000005 110.15 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -97.64 -149.99 0.34 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.881 -1.054 . . . . 63.310000000000002 110.12 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -95.95 -165.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.293 -0.412 . . . . 72.439999999999998 110.172 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.1 p -100.01 -14.44 18.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.229 0.538 . . . . 73.230000000000004 110.022 175.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.8 m -99.12 125.8 44.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.718 -0.673 . . . . 75.129999999999995 109.367 172.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 t -127.08 122.0 33.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.723 0.297 . . . . 62.039999999999999 110.362 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.459 ' HG3' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -99.77 152.35 20.21 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 121.029 0.442 . . . . 74.200000000000003 110.314 172.203 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.504 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 67.1 t80 -134.51 116.04 14.62 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.555 -0.748 . . . . 71.140000000000001 109.442 176.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.0 m -110.52 112.74 24.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.95 -0.568 . . . . 71.239999999999995 110.025 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -131.87 139.92 48.94 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.663 -0.495 . . . . 71.420000000000002 109.663 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -92.75 139.74 30.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.905 0.383 . . . . 70.299999999999997 110.768 -175.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -132.43 179.84 5.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.761 -0.654 . . . . 75.109999999999999 109.648 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.69 -58.65 3.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.784 0.326 . . . . 65.129999999999995 110.877 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.0 p -131.88 170.26 15.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.486 -0.325 . . . . 74.329999999999998 110.85 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.655 ' HB2' HG22 ' A' ' 69' ' ' ILE . 5.2 ptp180 -63.86 -24.18 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.0 0.428 . . . . 74.219999999999999 110.289 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.72 -46.72 84.13 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.518 0.675 . . . . 72.239999999999995 109.863 176.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.07 -28.12 68.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.815 -1.084 . . . . 62.049999999999997 110.315 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.493 ' HB1' HD22 ' A' ' 78' ' ' LEU . . . -74.98 -39.59 61.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.43 -0.804 . . . . 74.230000000000004 111.104 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 24.1 mm-40 -60.19 -42.29 94.72 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.229 -0.442 . . . . 73.219999999999999 110.345 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -61.36 -28.79 69.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 54.210000000000001 111.467 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.44 ' O ' HD22 ' A' ' 49' ' ' LEU . 51.8 t80 -73.5 -37.17 65.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.607 -0.516 . . . . 64.530000000000001 109.607 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.763 ' HA ' ' HE3' ' A' ' 46' ' ' MET . 0.9 OUTLIER -64.87 -30.52 71.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.754 -0.657 . . . . 60.350000000000001 111.046 179.241 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.9 m -57.64 -53.17 61.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.109999999999999 111.763 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -73.74 -28.27 61.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.912 0.386 . . . . 74.200000000000003 111.234 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.54 HD11 HD11 ' A' ' 52' ' ' LEU . 3.6 mm? -70.25 -27.36 64.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.147 -0.479 . . . . 74.040000000000006 111.073 178.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.42 -41.84 99.0 Favored 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 110.012 -0.366 . . . . 74.409999999999997 110.012 176.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -60.39 -41.12 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.809 -0.632 . . . . 74.5 110.662 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.54 HD11 HD11 ' A' ' 49' ' ' LEU . 77.4 mt -64.36 -51.17 64.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.811 -0.631 . . . . 61.409999999999997 110.998 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.39 -40.31 96.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.855 0.36 . . . . 75.540000000000006 111.285 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.65 90.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.062 -0.517 . . . . 62.420000000000002 111.33 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.96 -36.9 35.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.579 -0.282 . . . . 75.310000000000002 111.633 -176.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.38 -55.9 13.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 74.319999999999993 111.579 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.588 ' HG ' ' HB3' ' A' ' 89' ' ' GLU . 19.5 m -97.99 -55.2 2.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.35 -0.387 . . . . 45.420000000000002 111.714 -175.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.9 m 69.11 -63.85 0.35 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.122 -0.945 . . . . 60.130000000000003 110.647 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 58.34 -82.55 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.895 0.747 . . . . 64.439999999999998 111.128 -175.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -160.3 -58.24 0.06 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.461 -0.57 . . . . 72.109999999999999 109.461 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -114.32 14.28 17.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.384 -0.825 . . . . 75.140000000000001 111.084 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.12 173.83 21.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.86 -0.685 . . . . 63.32 113.005 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.65 163.85 13.2 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.473 0.309 . . . . 71.209999999999994 110.189 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.923 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 45.7 m -73.3 94.46 2.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.89 0.376 . . . . 74.430000000000007 110.381 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 p -111.27 121.16 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-O 121.389 0.614 . . . . 73.219999999999999 110.296 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.11 99.16 4.63 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.619 -0.719 . . . . 71.519999999999996 109.916 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.621 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 20.1 p90 -99.3 138.48 36.33 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.075 -0.343 . . . . 65.030000000000001 110.075 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -114.02 155.63 25.57 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.69 -0.485 . . . . 74.25 109.69 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.655 HG22 ' HB2' ' A' ' 39' ' ' ARG . 61.2 mt -125.0 115.55 44.53 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.54 -0.755 . . . . 75.409999999999997 109.338 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.824 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 38.9 ttmt -98.99 96.45 7.83 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.631 0.729 . . . . 70.319999999999993 109.73 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.79 ' HA ' HG12 ' A' ' 76' ' ' VAL . 4.6 m-20 -72.02 104.82 3.67 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.207 -1.361 . . . . 75.450000000000003 109.704 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.34 -172.67 2.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.313 0.578 . . . . 71.049999999999997 111.069 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -78.99 101.47 7.8 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.495 -0.775 . . . . 73.519999999999996 110.622 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.8 -6.07 79.56 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.877 -0.678 . . . . 44.340000000000003 113.203 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -164.97 177.12 8.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.731 0.265 . . . . 74.340000000000003 110.448 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' ' 71' ' ' ASP . 35.3 m -134.96 155.05 37.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.917 0.389 . . . . 75.450000000000003 111.055 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.824 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 27.7 tt0 -105.51 114.34 28.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.672 -0.695 . . . . 72.549999999999997 109.503 174.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.493 HD22 ' HB1' ' A' ' 42' ' ' ALA . 3.4 tm? -98.12 114.67 26.94 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.817 -0.808 . . . . 73.310000000000002 108.817 176.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.504 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 27.0 t70 -126.91 111.02 13.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.292 -0.413 . . . . 75.25 110.438 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.621 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -103.92 124.07 48.31 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.111 -0.495 . . . . 72.349999999999994 110.844 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.459 ' HA ' ' HG3' ' A' ' 31' ' ' LYS . . . -96.02 109.94 22.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.08 -0.509 . . . . 74.329999999999998 110.754 178.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -102.34 124.35 47.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.226 -0.443 . . . . 73.0 110.602 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.923 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 10.8 m -115.19 107.24 15.03 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.857 -0.423 . . . . 51.109999999999999 109.857 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.55 ' HB3' ' HB2' ' A' ' 89' ' ' GLU . 70.0 m-85 -99.67 146.54 26.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.736 -0.666 . . . . 75.409999999999997 110.405 -177.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.9 m -63.69 -36.26 83.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.112 -0.495 . . . . 63.43 110.786 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 43.1 m -130.65 162.51 29.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.04 -0.527 . . . . 73.109999999999999 110.328 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.403 ' O ' HG12 ' A' ' 91' ' ' ILE . 19.6 tt0 -70.31 -26.39 63.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.412 -0.358 . . . . 52.439999999999998 110.526 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.477 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.85 -43.97 77.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.556 . . . . 72.109999999999999 110.758 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.588 ' HB3' ' HG ' ' A' ' 57' ' ' SER . 1.8 mm-40 -67.89 -28.8 67.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 64.099999999999994 110.268 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -75.21 -49.76 18.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.955 -0.566 . . . . 73.150000000000006 110.348 -175.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 87' ' ' GLN . 21.5 pt -66.63 -36.25 76.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.108 0.41 . . . . 65.109999999999999 112.108 -176.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 88' ' ' ALA . 39.9 pt -69.71 -30.67 45.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-O 121.225 0.536 . . . . 54.130000000000003 110.25 177.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.599 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 88.5 t80 -66.42 -47.82 72.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.511 -0.768 . . . . 72.439999999999998 110.183 177.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.455 ' HA ' HD12 ' A' ' 97' ' ' LEU . 22.3 mm-40 -55.71 -49.29 73.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.913 -0.585 . . . . 61.509999999999998 111.185 178.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.72 -44.78 93.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 75.129999999999995 110.933 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.7 t -71.88 -23.14 61.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.927 -0.579 . . . . 73.230000000000004 111.323 -176.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 67.5 mt -53.36 -56.97 12.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.891 0.377 . . . . 73.040000000000006 111.186 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.465 ' HD3' ' H ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -77.82 -29.51 50.66 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.502 -0.479 . . . . 75.400000000000006 111.157 -178.563 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 m -77.42 -8.08 57.16 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.97 0.359 . . . . 72.430000000000007 111.97 -175.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.538 HD22 HD23 ' A' ' 52' ' ' LEU . 24.6 tp -83.49 -29.75 27.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.231 0.539 . . . . 72.25 110.053 177.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.29 -24.4 20.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.71 -0.677 . . . . 73.420000000000002 109.708 175.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 96.0 mt -132.13 90.33 2.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.448 -0.796 . . . . 71.340000000000003 110.312 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -62.03 113.03 2.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.917 -0.583 . . . . 72.340000000000003 110.208 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -98.58 99.61 10.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.306 -0.407 . . . . 74.0 110.146 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -110.66 159.12 17.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.148 -0.478 . . . . 50.100000000000001 109.855 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -150.54 -169.95 3.52 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.525 -0.546 . . . . 73.239999999999995 109.525 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -49.8 107.8 0.17 Allowed 'General case' 0 C--N 1.332 -0.172 0 O-C-N 123.541 0.526 . . . . 74.109999999999999 110.101 174.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -121.76 -12.31 8.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.424 0.63 . . . . 64.310000000000002 109.335 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 32.6 t60 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.167 -0.92 . . . . 72.340000000000003 109.298 176.352 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.725 0.298 . . . . 73.030000000000001 110.277 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.82 108.01 14.83 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.251 -0.431 . . . . 71.409999999999997 110.847 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 89.4 mtp -118.58 78.57 1.28 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.495 -0.557 . . . . 74.340000000000003 109.495 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -122.42 100.1 6.76 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.729 -0.669 . . . . 63.200000000000003 110.819 -175.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -114.86 101.97 9.54 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.046 -0.525 . . . . 73.140000000000001 109.858 177.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.5 t -116.56 125.85 73.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.824 -0.626 . . . . 74.349999999999994 110.222 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -145.49 145.82 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.926 -0.398 . . . . 75.439999999999998 109.926 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -140.55 116.8 10.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.66 0.267 . . . . 72.239999999999995 110.733 -177.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -145.31 118.14 8.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.23 -0.441 . . . . 72.519999999999996 110.291 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.3 t -149.08 94.34 2.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.709 0.29 . . . . 72.329999999999998 110.514 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.3 p -171.94 100.94 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.549 . . . . 74.140000000000001 110.622 178.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.8 m -158.21 114.76 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.51 -0.314 . . . . 73.219999999999999 110.59 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -166.59 149.25 6.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 65.439999999999998 110.4 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.54 46.24 0.63 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.462 -0.875 . . . . 73.5 112.587 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.0 t -125.23 97.1 5.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.976 0.417 . . . . 73.239999999999995 110.124 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -143.39 25.66 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.802 -0.636 . . . . 75.420000000000002 110.793 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 pp -103.98 8.41 9.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.098 -0.501 . . . . 63.399999999999999 111.384 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -88.2 116.52 26.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.931 -0.577 . . . . 75.219999999999999 110.72 -177.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.519 ' HB ' HD21 ' A' ' 95' ' ' LEU . 46.0 mm -89.8 -25.82 5.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.667 -0.697 . . . . 74.430000000000007 109.544 176.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.95 45.16 6.8 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.591 -0.731 . . . . 50.350000000000001 111.525 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.3 m -139.11 121.59 16.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.631 0.253 . . . . 74.439999999999998 110.674 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.8 p -153.32 137.79 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.226 -0.443 . . . . 36.609999999999999 109.844 177.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.435 ' H ' HD12 ' A' ' 23' ' ' ILE . 3.5 mp -94.88 -98.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.955 -0.387 . . . . 62.100000000000001 109.955 -178.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.435 ' H ' ' HB ' ' A' ' 23' ' ' ILE . 11.1 m-20 -150.75 -96.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.531 -0.544 . . . . 71.510000000000005 109.531 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -141.01 129.44 22.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.138 -0.483 . . . . 65.049999999999997 110.691 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.46 ' CG ' ' H ' ' A' ' 27' ' ' ASN . 16.1 t70 -116.17 -163.47 0.9 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.304 -1.369 . . . . 73.409999999999997 107.304 173.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' H ' ' CG ' ' A' ' 26' ' ' ASP . 4.1 p-10 -96.5 -48.93 5.35 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.066 -0.716 . . . . 73.319999999999993 109.066 174.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 27' ' ' ASN . 17.6 p 163.22 15.94 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 O-C-N 124.37 1.044 . . . . 72.450000000000003 109.952 178.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 31.1 m -115.96 123.16 47.34 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 120.94 0.4 . . . . 73.430000000000007 111.116 -173.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.722 ' HB2' ' HG3' ' A' ' 90' ' ' MET . 28.3 t -97.22 121.79 39.51 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.307 -0.627 . . . . 75.340000000000003 109.307 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -109.2 151.71 26.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.954 0.407 . . . . 74.230000000000004 110.028 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -161.75 123.45 2.83 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.413 -0.812 . . . . 74.230000000000004 110.108 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.628 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 4.4 m -133.41 107.09 7.86 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.708 -0.478 . . . . 74.510000000000005 109.708 175.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -113.98 142.55 46.02 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.051 -0.351 . . . . 64.530000000000001 110.051 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.45 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 81.3 m-85 -90.18 132.87 35.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.282 -0.417 . . . . 73.430000000000007 110.048 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.452 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 97.4 m-85 -119.39 158.02 27.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.217 -0.447 . . . . 61.340000000000003 110.633 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.12 99.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 74.420000000000002 111.041 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.2 p -133.69 160.65 36.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.623 -0.262 . . . . 74.019999999999996 110.44 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.759 ' HA ' HG22 ' A' ' 76' ' ' VAL . 21.0 ttt180 -61.95 -30.13 70.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.889 0.376 . . . . 75.239999999999995 110.237 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -55.55 -49.84 71.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.775 -0.648 . . . . 72.540000000000006 110.354 175.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 12.2 mm-40 -56.55 -32.56 65.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.996 -1.002 . . . . 61.329999999999998 110.976 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.15 -52.15 10.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.559 -0.746 . . . . 71.010000000000005 110.957 -178.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 1.013 ' HG2' HD13 ' A' ' 69' ' ' ILE . 51.4 mt-10 -64.01 -34.16 77.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 74.439999999999998 110.769 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.0 t -65.47 -29.27 69.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.938 -0.574 . . . . 73.010000000000005 110.953 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.487 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 56.2 t80 -76.1 -42.88 45.8 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.43 -0.35 . . . . 73.0 110.226 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.612 ' HE2' HD11 ' A' ' 78' ' ' LEU . 47.3 tpp -63.11 -24.26 67.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 72.209999999999994 111.292 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.492 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 31.3 m -53.96 -50.33 66.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.339 -0.392 . . . . 71.140000000000001 111.463 178.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 17.0 ptmt -74.07 -27.79 61.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.351 -0.386 . . . . 75.010000000000005 111.353 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.436 HD12 ' HZ ' ' A' ' 93' ' ' PHE . 4.4 mm? -63.61 -30.25 71.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.732 0.301 . . . . 70.099999999999994 110.453 176.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 47' ' ' THR . 5.2 mptp? -56.39 -40.54 74.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 71.340000000000003 110.719 174.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -75.25 -51.13 14.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.968 -0.56 . . . . 74.400000000000006 110.783 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.0 mt -57.87 -42.72 85.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.349 -0.841 . . . . 73.019999999999996 112.161 -174.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.19 85.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.747 0.308 . . . . 71.129999999999995 111.64 -178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.557 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . . . -76.08 -30.25 58.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.312 -0.403 . . . . 75.299999999999997 111.452 -177.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.02 -33.91 38.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.876 0.37 . . . . 71.310000000000002 111.357 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.7 -42.31 22.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.05 -0.523 . . . . 63.109999999999999 111.437 -178.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -86.3 127.76 34.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.052 0.453 . . . . 63.329999999999998 111.064 -175.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m -77.96 12.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.681 -0.691 . . . . 65.129999999999995 111.826 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 60' ' ' ASP . . . -89.4 19.31 4.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.52 -0.309 . . . . 72.239999999999995 111.464 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' ' 59' ' ' ALA . 4.7 m-20 71.17 -69.66 0.18 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.745 -0.661 . . . . 70.439999999999998 112.258 177.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -92.99 31.76 1.37 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.871 -0.604 . . . . 74.450000000000003 111.09 -171.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.557 ' HA2' ' HA ' ' A' ' 54' ' ' ALA . . . 85.61 -133.35 11.73 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.744 -0.741 . . . . 43.420000000000002 111.856 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.62 171.3 14.57 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.151 -0.314 . . . . 72.129999999999995 110.151 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.519 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 73.8 m -75.31 99.18 4.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.575 -0.284 . . . . 73.239999999999995 110.494 178.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 6.0 p -111.11 116.15 51.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.602 0.715 . . . . 72.310000000000002 111.411 -178.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.57 97.27 9.26 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.238 -1.023 . . . . 73.549999999999997 108.238 171.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -121.17 155.34 34.74 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.015 0.436 . . . . 73.239999999999995 110.93 -173.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.579 ' HG2' ' HB3' ' A' ' 79' ' ' ASP . 10.2 ptpp? -147.77 156.98 43.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.95 -0.568 . . . . 73.340000000000003 110.205 178.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 1.013 HD13 ' HG2' ' A' ' 43' ' ' GLU . 23.2 mt -121.68 104.92 15.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 N-CA-C 108.231 -1.025 . . . . 71.340000000000003 108.231 177.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.683 ' HB3' ' HG2' ' A' ' 77' ' ' GLU . 83.8 tttt -107.71 121.93 45.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.253 0.549 . . . . 72.239999999999995 111.23 -168.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.752 ' HA ' HG13 ' A' ' 76' ' ' VAL . 5.5 m-20 -77.83 127.35 32.26 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.994 -1.003 . . . . 63.200000000000003 110.423 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.5 mt -122.09 -177.88 3.71 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.02 -0.363 . . . . 73.420000000000002 110.02 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -86.86 102.7 14.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.87 0.367 . . . . 73.540000000000006 110.571 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.09 -3.95 73.87 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.941 -0.647 . . . . 63.009999999999998 112.219 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -164.5 177.91 7.79 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.937 -0.394 . . . . 74.409999999999997 109.937 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.759 HG22 ' HA ' ' A' ' 39' ' ' ARG . 27.4 m -140.58 153.78 21.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.302 -0.629 . . . . 71.049999999999997 109.302 174.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.683 ' HG2' ' HB3' ' A' ' 70' ' ' LYS . 13.0 pt-20 -109.12 126.7 53.48 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.609 0.719 . . . . 74.019999999999996 110.011 176.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.628 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -97.65 110.56 23.1 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.383 -0.969 . . . . 75.239999999999995 108.383 174.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.579 ' HB3' ' HG2' ' A' ' 68' ' ' LYS . 9.6 t70 -107.56 126.58 52.72 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.474 -0.785 . . . . 74.120000000000005 110.247 -175.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -139.12 135.71 34.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.385 -0.37 . . . . 65.219999999999999 110.751 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.578 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -134.11 100.64 4.77 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.237 -0.438 . . . . 73.329999999999998 109.902 175.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 29' ' ' THR . 82.0 m-85 -93.47 112.65 24.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.118 -0.492 . . . . 71.010000000000005 110.345 -177.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.519 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 63.9 m -94.76 108.91 20.92 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.637 -0.505 . . . . 74.319999999999993 109.637 175.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -89.86 168.52 11.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.842 -0.617 . . . . 71.540000000000006 110.52 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.3 p -76.56 -23.23 53.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.182 0.515 . . . . 74.409999999999997 110.711 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.483 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 63.9 m -140.51 154.2 46.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.848 -0.614 . . . . 65.209999999999994 110.088 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.424 ' HG3' ' HE3' ' A' ' 90' ' ' MET . 31.8 tt0 -69.01 -33.09 73.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.561 -0.291 . . . . 71.030000000000001 110.75 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.5 -40.08 74.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.284 -0.416 . . . . 64.109999999999999 110.808 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.483 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 6.0 mm-40 -62.71 -32.77 73.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.09 -0.505 . . . . 61.229999999999997 110.318 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.722 ' HG3' ' HB2' ' A' ' 30' ' ' SER . 59.1 ttp -69.28 -51.95 32.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.879 -0.6 . . . . 72.219999999999999 110.915 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.59 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.8 pt -68.21 -39.81 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 116.197 -0.456 . . . . 65.329999999999998 112.201 -176.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 pp -64.53 -30.59 50.64 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 C-N-CA 120.326 -0.55 . . . . 74.340000000000003 110.456 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.648 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 74.8 t80 -65.56 -51.49 59.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.65 -0.705 . . . . 74.099999999999994 110.573 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.22 -28.36 63.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 74.349999999999994 111.731 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 72.4 mt -63.24 -51.23 67.07 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.152 -0.314 . . . . 51.530000000000001 110.152 175.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.6 m -58.42 -40.99 84.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 65.049999999999997 111.404 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.9 mt -56.97 -49.51 75.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.935 0.398 . . . . 71.040000000000006 110.554 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -70.68 -31.25 68.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.009 -0.541 . . . . 74.340000000000003 111.048 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -66.38 -30.34 70.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 73.239999999999995 110.502 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.0 tt -86.29 -49.57 7.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.105 -0.498 . . . . 72.420000000000002 110.481 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.27 28.51 0.62 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.679 -0.691 . . . . 73.530000000000001 111.548 -176.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 37.6 mt -56.49 -70.98 0.1 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.585 -0.28 . . . . 55.329999999999998 111.324 177.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.6 -64.59 0.12 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.501 -0.772 . . . . 71.540000000000006 111.334 -174.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -110.6 98.82 7.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.306 0.574 . . . . 73.510000000000005 110.069 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -74.09 86.98 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.636 0.732 . . . . 75.349999999999994 110.131 178.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -133.51 104.77 6.55 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.605 -0.725 . . . . 73.209999999999994 110.703 -172.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.6 m170 -108.43 67.7 0.67 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.234 -0.654 . . . . 71.319999999999993 109.234 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 30.1 m80 66.61 170.0 0.24 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.262 -0.881 . . . . 71.209999999999994 111.058 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 18.5 t60 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.505 -0.76 . . . . 71.239999999999995 110.157 -177.144 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.832 0.349 . . . . 72.219999999999999 110.124 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.91 163.71 12.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.249 0.547 . . . . 71.420000000000002 111.504 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -146.99 139.77 25.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.225 -0.898 . . . . 75.430000000000007 108.893 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -129.09 111.69 13.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.953 0.406 . . . . 65.209999999999994 111.223 -175.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -106.22 70.38 0.84 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.627 0.727 . . . . 71.409999999999997 109.775 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.2 t -126.22 96.64 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.202 -0.908 . . . . 71.439999999999998 109.857 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.8 t -143.6 105.3 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.038 -0.528 . . . . 71.230000000000004 111.532 -176.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -137.53 137.34 38.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.04 0.447 . . . . 73.409999999999997 110.013 169.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -142.54 111.71 6.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.922 -0.581 . . . . 71.329999999999998 110.081 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.8 p -119.4 43.44 2.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.959 -0.564 . . . . 64.129999999999995 110.584 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.411 ' O ' HG22 ' A' ' 12' ' ' THR . 37.1 m -65.2 87.78 0.07 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.993 -0.549 . . . . 74.319999999999993 111.305 -177.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -168.51 109.94 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.181 -0.918 . . . . 75.239999999999995 109.952 -178.061 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.463 ' HB2' ' HZ2' ' A' ' 13' ' ' LYS . 10.1 mtmp? -124.64 177.59 5.88 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.286 -0.264 . . . . 74.219999999999999 110.286 176.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.07 112.59 3.83 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.778 -0.725 . . . . 71.340000000000003 113.176 -173.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 t -89.82 162.4 15.52 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.649 -0.871 . . . . 75.319999999999993 108.649 174.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.62 ' O ' HG12 ' A' ' 17' ' ' ILE . . . -140.12 -163.98 1.62 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.702 0.26 . . . . 64.340000000000003 111.702 -173.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.637 HD13 ' HA3' ' A' ' 20' ' ' GLY . 4.0 pt 65.21 140.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.482 1.513 . . . . 64.010000000000005 113.175 177.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -97.95 -55.5 2.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.82 -1.082 . . . . 64.030000000000001 108.704 173.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.5 mm -104.48 -49.16 9.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.596 -0.89 . . . . 65.219999999999999 108.596 168.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.637 ' HA3' HD13 ' A' ' 17' ' ' ILE . . . 79.53 -75.09 2.15 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.163 -0.926 . . . . 73.030000000000001 113.911 173.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 t -78.47 128.69 33.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.251 0.548 . . . . 73.450000000000003 111.612 -172.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -173.95 136.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.297 -0.865 . . . . 61.119999999999997 109.589 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.9 mt -128.66 93.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.204 0.526 . . . . 65.129999999999995 110.104 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -144.27 124.9 14.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.938 -0.574 . . . . 73.109999999999999 109.533 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -165.8 126.61 1.83 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.225 0.536 . . . . 72.430000000000007 110.685 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -155.51 -57.45 0.1 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.372 -0.831 . . . . 72.329999999999998 109.145 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -150.54 175.2 12.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.259 -0.882 . . . . 72.439999999999998 109.295 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.3 m -104.4 24.15 12.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.877 0.37 . . . . 72.010000000000005 111.424 -174.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.1 m -116.44 110.45 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.349 -0.387 . . . . 75.109999999999999 110.362 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.504 ' HB2' ' SD ' ' A' ' 90' ' ' MET . 32.2 t -98.41 116.96 31.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.947 0.404 . . . . 65.140000000000001 110.552 -178.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -103.61 112.84 25.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.96 -0.564 . . . . 61.009999999999998 109.695 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -124.65 119.13 28.13 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.964 -0.562 . . . . 73.230000000000004 110.407 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.659 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 3.8 p -128.64 111.0 12.72 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.045 0.45 . . . . 74.040000000000006 110.979 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -119.38 151.32 38.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 73.409999999999997 110.373 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.488 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 81.6 m-85 -84.44 137.09 33.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.145 -0.479 . . . . 74.129999999999995 110.597 176.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -127.73 163.28 24.67 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.656 -0.702 . . . . 75.510000000000005 109.58 176.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.75 -56.97 14.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.4 0.437 . . . . 72.209999999999994 110.877 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.9 p -123.67 160.37 27.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.468 -0.333 . . . . 73.519999999999996 110.985 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.596 ' HG3' HG23 ' A' ' 69' ' ' ILE . 41.4 ttt180 -59.91 -31.7 70.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.205 0.526 . . . . 74.230000000000004 110.106 175.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.08 -50.62 73.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.545 -0.752 . . . . 72.129999999999995 110.605 176.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -54.28 -34.76 61.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.734 -0.666 . . . . 72.319999999999993 110.896 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' A' ' 78' ' ' LEU . . . -69.42 -52.89 22.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.707 -0.678 . . . . 74.109999999999999 110.985 -177.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.95 -31.82 72.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.372 -0.377 . . . . 62.399999999999999 111.198 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.7 m -67.87 -28.76 67.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 72.209999999999994 110.985 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.461 ' O ' HD22 ' A' ' 49' ' ' LEU . 86.1 t80 -72.6 -35.05 67.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.073 0.463 . . . . 65.140000000000001 109.789 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.589 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 35.9 tpp -63.43 -40.13 96.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.688 -0.687 . . . . 75.129999999999995 111.472 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.2 m -52.53 -50.79 62.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.446 0.536 . . . . 75.129999999999995 112.446 -173.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -71.48 -28.53 63.99 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.061 -0.256 . . . . 73.239999999999995 111.183 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.461 HD22 ' O ' ' A' ' 45' ' ' PHE . 4.1 mm? -70.93 -36.16 72.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.587 -0.279 . . . . 71.299999999999997 111.03 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.589 ' HG3' ' O ' ' A' ' 46' ' ' MET . 41.1 mtpt -55.87 -48.74 75.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.926 0.393 . . . . 75.329999999999998 110.554 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.85 -41.52 82.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.553 -0.749 . . . . 72.129999999999995 110.722 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.5 mt -68.67 -43.17 76.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.693 -0.685 . . . . 74.040000000000006 110.751 -178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.22 97.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.42 -0.355 . . . . 63.25 111.18 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.06 -35.54 78.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 74.439999999999998 111.427 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.41 -29.75 24.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.441 -0.345 . . . . 72.319999999999993 111.332 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.43 -37.23 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.398 -0.365 . . . . 74.030000000000001 110.829 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.426 ' HB2' ' CD2' ' A' ' 84' ' ' PHE . 34.4 t -86.02 115.34 23.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.234 -0.439 . . . . 73.299999999999997 110.433 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.5 m -79.76 19.97 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.087 0.47 . . . . 71.299999999999997 111.395 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.24 11.68 9.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.026 -0.534 . . . . 60.240000000000002 111.643 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 73.38 -54.73 0.69 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.554 0.742 . . . . 73.230000000000004 111.461 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -90.41 29.12 1.32 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.019 -0.537 . . . . 73.010000000000005 110.698 -175.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.02 -133.06 34.04 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.991 -0.624 . . . . 53.439999999999998 112.067 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.52 178.24 7.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.852 0.358 . . . . 62.450000000000003 110.869 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.85 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 14.6 m -88.94 122.31 32.18 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.322 -0.622 . . . . 54.229999999999997 109.322 176.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.4 p -133.22 116.42 25.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.453 0.644 . . . . 74.219999999999999 111.214 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.34 122.71 38.45 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.578 -0.737 . . . . 63.439999999999998 109.517 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.506 ' HB3' ' HE3' ' A' ' 46' ' ' MET . 18.0 p90 -120.59 135.98 54.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.256 0.551 . . . . 74.349999999999994 111.056 -177.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.433 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 36.2 mtmt -113.86 165.51 12.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.501 -0.772 . . . . 72.120000000000005 109.764 174.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.596 HG23 ' HG3' ' A' ' 39' ' ' ARG . 45.4 mt -137.21 111.44 9.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 115.518 -0.764 . . . . 37.340000000000003 110.427 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -105.94 99.31 8.91 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.891 0.853 . . . . 73.439999999999998 109.488 175.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.766 ' HA ' HG13 ' A' ' 76' ' ' VAL . 5.7 p-10 -75.5 107.88 7.93 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.939 -1.482 . . . . 73.25 109.434 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.0 mt -97.88 -169.99 1.91 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.271 -0.422 . . . . 73.150000000000006 110.398 -174.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -75.96 102.4 5.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.841 -0.618 . . . . 72.010000000000005 109.375 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.9 -62.11 1.92 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.971 -0.633 . . . . 63.149999999999999 112.312 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -105.71 171.52 7.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.581 0.229 . . . . 71.219999999999999 110.695 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.766 HG13 ' HA ' ' A' ' 71' ' ' ASP . 32.9 m -130.87 154.5 40.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.626 -0.261 . . . . 74.0 110.534 177.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -109.8 115.7 30.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.776 0.322 . . . . 44.219999999999999 110.368 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.659 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.4 tm? -91.44 114.18 26.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.706 -0.85 . . . . 53.140000000000001 108.706 176.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.462 ' O ' ' HA ' ' A' ' 67' ' ' TYR . 21.4 t70 -109.33 114.6 28.42 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.078 -0.51 . . . . 75.219999999999999 110.564 -176.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.52 133.11 56.4 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.322 -0.399 . . . . 71.519999999999996 111.542 -176.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.65 107.56 15.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.781 -0.645 . . . . 70.239999999999995 110.23 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -102.34 113.29 26.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.895 -0.593 . . . . 72.150000000000006 110.577 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.85 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 28.5 m -108.19 106.2 16.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.999 0.428 . . . . 73.310000000000002 110.308 177.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.426 ' CD2' ' HB2' ' A' ' 57' ' ' SER . 45.5 m-85 -91.84 154.12 19.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.818 -0.628 . . . . 74.430000000000007 110.122 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 m -75.49 -31.97 60.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.959 0.409 . . . . 71.239999999999995 111.087 -177.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.829 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 33.3 m -124.29 144.76 49.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.041 -0.527 . . . . 75.030000000000001 109.963 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -66.66 -32.43 73.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.359 . . . . 74.200000000000003 111.218 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.32 -37.77 75.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.29 -0.414 . . . . 74.140000000000001 110.484 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.829 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 4.2 mm-40 -67.37 -31.02 70.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.672 -0.694 . . . . 72.230000000000004 110.447 -178.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.504 ' SD ' ' HB2' ' A' ' 30' ' ' SER . 49.2 tpp -65.35 -54.16 33.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.025 0.441 . . . . 73.019999999999996 110.96 -179.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.585 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.3 pt -67.08 -39.14 82.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.164 -0.471 . . . . 71.430000000000007 112.078 -176.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 pp -69.18 -29.76 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.468 -0.493 . . . . 71.129999999999995 110.551 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.577 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 50.2 t80 -62.94 -52.23 63.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.957 -0.565 . . . . 74.409999999999997 110.554 176.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 3.5 pt-20 -69.55 -31.27 69.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.601 -0.272 . . . . 75.140000000000001 111.317 -177.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 73.2 mt -61.34 -44.83 96.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.919 0.39 . . . . 71.420000000000002 110.32 176.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.0 m -66.22 -22.99 66.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.043 -0.526 . . . . 64.409999999999997 110.691 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 79.6 mt -77.83 -30.65 51.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 110.781 177.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.561 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 54.7 mtt180 -62.54 -50.94 69.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.187 -0.461 . . . . 74.019999999999996 111.436 -174.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.2 p -69.54 -28.27 65.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.112 0.482 . . . . 75.409999999999997 110.894 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.7 tt -68.39 -45.43 72.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.71 -0.677 . . . . 74.120000000000005 110.066 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.32 13.51 2.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.682 -0.69 . . . . 53.530000000000001 111.863 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 98' ' ' ARG . 57.6 mt -83.97 -17.18 41.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.902 0.382 . . . . 73.019999999999996 110.928 176.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 104' ' ' HIS . 37.7 mt-10 -84.81 66.2 9.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 72.310000000000002 112.065 -174.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 103' ' ' GLU . 7.0 p80 175.77 134.07 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.983 -0.553 . . . . 73.430000000000007 109.667 173.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -67.86 145.65 54.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.728 0.299 . . . . 73.299999999999997 110.532 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -145.3 139.95 27.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.492 -0.322 . . . . 71.120000000000005 110.876 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -177.09 118.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.821 -0.627 . . . . 75.129999999999995 109.513 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -161.79 114.51 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.738 -0.467 . . . . 75.319999999999993 109.738 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.332 -0.842 . . . . 74.219999999999999 110.024 -176.426 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.8 tpp . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.953 0.406 . . . . 73.450000000000003 110.092 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.4 103.94 7.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.982 -0.553 . . . . 64.409999999999997 110.26 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.96 -14.21 6.15 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.004 -0.543 . . . . 73.510000000000005 110.805 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -119.65 95.28 4.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.327 0.584 . . . . 74.319999999999993 112.006 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -130.43 91.82 3.16 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.856 -0.794 . . . . 62.240000000000002 108.856 168.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.2 p -115.66 130.12 70.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.247 0.546 . . . . 75.439999999999998 110.897 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.2 p -145.08 126.95 9.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.836 -0.62 . . . . 74.420000000000002 110.236 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -136.2 136.89 40.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.837 -0.619 . . . . 54.340000000000003 109.589 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -97.0 90.4 5.17 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.392 0.615 . . . . 63.030000000000001 110.607 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.5 t -125.81 80.15 1.88 Allowed 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.375 -0.972 . . . . 74.530000000000001 108.375 173.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.0 m -127.92 161.29 29.44 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.709 -0.678 . . . . 71.519999999999996 111.238 -173.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.7 m 61.61 79.12 0.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.333 -0.848 . . . . 75.109999999999999 111.967 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -105.51 89.82 3.22 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.447 -0.945 . . . . 60.5 108.447 171.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.36 -113.9 6.31 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 111.06 -0.816 . . . . 73.25 111.06 -171.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.5 m -145.29 -35.08 0.32 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.997 0.427 . . . . 63.420000000000002 110.079 174.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.98 86.85 6.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.152 0.501 . . . . 64.299999999999997 110.926 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.7 tt -129.28 125.44 62.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.836 -0.62 . . . . 73.209999999999994 109.792 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.9 t70 70.21 134.14 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.415 -0.811 . . . . 74.439999999999998 111.622 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.444 HG23 ' CD ' ' A' ' 98' ' ' ARG . 50.8 mm -94.48 -24.37 4.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.824 -0.626 . . . . 73.299999999999997 110.439 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.47 15.51 56.86 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.508 -0.853 . . . . 73.439999999999998 111.822 -175.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.5 m -94.81 116.86 29.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.9 -0.407 . . . . 61.329999999999998 109.9 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 m -82.41 88.16 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.72 0.772 . . . . 74.200000000000003 111.751 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.4 mt -114.04 125.61 71.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.295 -0.866 . . . . 72.430000000000007 109.154 172.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.411 ' CG ' ' H ' ' A' ' 25' ' ' ASN . 6.1 t70 -104.87 -159.76 0.73 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.956 -0.387 . . . . 71.310000000000002 109.956 -174.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 12.2 m120 -78.27 106.59 10.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.386 0.612 . . . . 71.129999999999995 111.33 -177.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -114.48 -71.22 0.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.253 -0.885 . . . . 75.010000000000005 108.71 174.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -162.84 165.92 24.72 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.717 -1.216 . . . . 63.049999999999997 107.717 172.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.4 p -78.21 45.34 0.54 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.414 0.524 . . . . 70.219999999999999 112.414 -173.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 89.9 m -132.86 123.89 26.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.349 -0.387 . . . . 61.530000000000001 110.011 177.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 t -97.31 135.54 39.08 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.429 -0.582 . . . . 74.010000000000005 109.429 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.503 ' HZ1' ' HB1' ' A' ' 81' ' ' ALA . 29.9 mmmt -112.51 143.61 43.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.108 -0.496 . . . . 63.420000000000002 111.352 -173.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -136.2 118.81 15.97 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.936 -0.764 . . . . 73.450000000000003 108.936 169.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 9.9 m -133.47 118.19 18.06 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.852 -0.425 . . . . 64.219999999999999 109.852 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -148.94 149.9 31.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.985 0.421 . . . . 71.099999999999994 111.275 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.409 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 4.6 m-85 -85.99 118.69 25.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.738 -0.665 . . . . 74.310000000000002 109.213 175.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.466 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 66.7 m-85 -104.72 155.88 18.49 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.203 -0.295 . . . . 73.120000000000005 110.203 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.99 -47.02 86.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.982 0.42 . . . . 74.129999999999995 111.515 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.83 161.61 34.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.226 -0.443 . . . . 52.539999999999999 110.251 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 39' ' ' ARG . 22.0 ttt180 -58.28 -33.06 69.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 73.049999999999997 110.918 177.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.27 -48.74 80.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.008 -0.542 . . . . 75.150000000000006 110.789 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 38.2 mm-40 -52.85 -34.07 52.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.566 -0.743 . . . . 72.230000000000004 110.49 176.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.573 ' HB2' HD22 ' A' ' 78' ' ' LEU . . . -76.11 -52.92 9.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.198 -0.91 . . . . 65.340000000000003 111.264 -178.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.7 ' HG2' HD13 ' A' ' 69' ' ' ILE . 27.4 mt-10 -66.49 -31.94 72.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.376 -0.375 . . . . 64.329999999999998 111.646 -176.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.2 m -63.84 -35.2 79.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.728 0.299 . . . . 73.530000000000001 110.347 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.485 ' O ' HD22 ' A' ' 49' ' ' LEU . 32.2 t80 -76.51 -37.07 57.31 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.451 -0.574 . . . . 74.129999999999995 109.451 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.796 ' HA ' ' HE3' ' A' ' 46' ' ' MET . 1.7 tpt -61.81 -37.46 84.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.719 -0.673 . . . . 64.5 110.859 177.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.673 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 41.1 m -63.16 -51.39 66.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 74.040000000000006 111.579 -177.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -67.14 -28.86 68.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 73.409999999999997 111.021 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.485 HD22 ' O ' ' A' ' 45' ' ' PHE . 2.0 mm? -63.89 -34.62 78.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.412 -0.358 . . . . 74.200000000000003 110.873 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.673 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 32.0 mttt -60.96 -44.65 97.0 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.057 0.456 . . . . 71.219999999999999 110.47 176.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -65.92 -42.81 89.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.584 -0.734 . . . . 71.340000000000003 110.603 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.74 -31.72 72.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.823 -0.626 . . . . 75.340000000000003 111.35 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.98 -34.69 78.56 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.262 0.553 . . . . 75.239999999999995 110.542 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.84 -30.52 66.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.768 -0.651 . . . . 53.130000000000003 110.646 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.93 -31.28 50.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.468 -0.333 . . . . 73.109999999999999 110.972 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.63 -53.33 6.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.386 -0.37 . . . . 63.030000000000001 111.86 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.9 m -114.82 -31.11 6.23 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.976 0.361 . . . . 74.439999999999998 111.976 -175.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.1 m 70.16 -71.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.541 -0.754 . . . . 64.329999999999998 109.794 -175.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 50.16 17.3 0.31 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.471 0.915 . . . . 63.240000000000002 113.471 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 66.86 -62.32 0.3 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.416 0.687 . . . . 70.299999999999997 111.816 -176.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -85.76 -24.69 26.77 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.056 0.455 . . . . 64.450000000000003 110.494 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.03 172.95 16.99 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.884 -0.674 . . . . 60.140000000000001 111.868 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.96 152.76 36.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.597 0.237 . . . . 65.340000000000003 110.421 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.588 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 69.5 m -70.27 103.22 2.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.24 -0.436 . . . . 64.239999999999995 110.789 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.1 p -100.43 120.33 49.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.494 0.664 . . . . 74.019999999999996 111.251 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.491 ' HB1' ' HB3' ' A' ' 81' ' ' ALA . . . -105.28 99.76 9.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.179 -0.919 . . . . 72.010000000000005 108.714 172.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -111.23 150.62 29.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.043 0.449 . . . . 71.019999999999996 111.77 -172.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 79' ' ' ASP . 91.2 mttt -134.4 138.37 44.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.423 -0.808 . . . . 65.319999999999993 110.233 169.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.7 HD13 ' HG2' ' A' ' 43' ' ' GLU . 59.1 mt -128.7 103.42 9.59 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 114.417 -1.265 . . . . 75.349999999999994 108.34 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.538 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 81.4 tttt -111.08 119.06 37.75 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.038 -0.528 . . . . 74.150000000000006 111.25 -171.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.656 ' HA ' HG13 ' A' ' 76' ' ' VAL . 7.5 m-20 -82.12 108.44 15.6 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.003 -0.999 . . . . 72.430000000000007 110.229 -178.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.0 mt -104.63 -179.85 4.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.937 0.399 . . . . 61.240000000000002 109.967 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -88.67 103.84 16.31 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.065 0.459 . . . . 73.319999999999993 110.32 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.25 -5.93 65.77 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 115.728 -0.669 . . . . 72.129999999999995 112.632 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -167.05 178.72 5.56 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.756 -0.461 . . . . 72.209999999999994 109.756 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.656 HG13 ' HA ' ' A' ' 71' ' ' ASP . 27.1 m -138.74 157.25 29.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.814 0.34 . . . . 65.340000000000003 110.661 176.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 6.0 tp10 -102.6 114.53 28.83 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.809 -0.632 . . . . 71.329999999999998 109.379 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.573 HD22 ' HB2' ' A' ' 42' ' ' ALA . 3.2 tm? -102.11 114.48 28.64 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.691 -0.855 . . . . 71.310000000000002 108.691 176.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.452 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 26.9 t70 -122.43 111.52 16.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.052 -0.522 . . . . 70.099999999999994 110.706 -176.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.62 140.75 47.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.827 -0.624 . . . . 62.229999999999997 111.037 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.503 ' HB1' ' HZ1' ' A' ' 31' ' ' LYS . . . -140.29 106.91 5.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.828 -0.624 . . . . 54.509999999999998 110.149 177.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 29' ' ' THR . 78.9 m-85 -104.04 112.56 25.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.911 0.386 . . . . 72.239999999999995 110.792 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.588 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 96.8 m -91.97 122.17 34.24 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.888 -0.596 . . . . 75.319999999999993 109.861 176.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.445 ' HZ ' ' CD2' ' A' ' 93' ' ' PHE . 64.1 m-85 -107.47 -174.25 2.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.683 -0.69 . . . . 73.540000000000006 109.825 -177.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.2 m -69.87 -44.85 68.96 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.139 0.495 . . . . 62.140000000000001 110.225 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 34.8 t -148.78 179.47 7.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.428 -0.582 . . . . 74.510000000000005 109.428 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.55 ' O ' HG12 ' A' ' 91' ' ' ILE . 32.0 tt0 -75.03 -17.09 60.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.641 0.258 . . . . 72.510000000000005 111.238 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.88 -50.5 73.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.905 0.384 . . . . 63.020000000000003 110.637 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -74.74 -26.0 59.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.209 -0.451 . . . . 72.200000000000003 111.045 176.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.505 ' HB3' ' HA ' ' A' ' 87' ' ' GLN . 19.3 ttt -60.69 -56.87 16.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.193 -0.458 . . . . 70.219999999999999 111.43 177.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.7 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 17.9 pt -63.27 -44.84 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 112.086 0.402 . . . . 71.209999999999994 112.086 -174.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.507 ' HA ' HD11 ' A' ' 95' ' ' LEU . 2.8 pp -64.79 -29.72 48.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.753 0.311 . . . . 71.5 111.179 -177.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.576 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 69.2 t80 -64.7 -51.57 61.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.046 -0.524 . . . . 72.430000000000007 110.825 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -72.9 -27.54 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 73.109999999999999 111.701 -177.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 97.6 mt -56.65 -50.5 71.87 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.213 0.53 . . . . 72.430000000000007 109.594 173.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 62.1 m -62.72 -40.67 97.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.487 -0.779 . . . . 64.140000000000001 111.47 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.3 mt -53.24 -48.46 68.19 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.996 0.427 . . . . 73.120000000000005 111.233 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.444 ' CD ' HG23 ' A' ' 19' ' ' ILE . 56.3 mtt180 -77.23 -38.28 51.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.53 -0.759 . . . . 73.409999999999997 111.788 -171.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 61.6 m -74.68 -22.0 59.11 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.905 0.383 . . . . 63.409999999999997 111.62 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.5 tp -83.75 -46.93 11.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.94 0.4 . . . . 75.340000000000003 111.153 -176.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.1 -43.86 32.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.892 -0.594 . . . . 63.219999999999999 110.604 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 60.7 mt 46.31 35.37 2.68 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.533 -0.758 . . . . 52.32 112.036 -175.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.644 ' HG2' ' H ' ' A' ' 104' ' ' HIS . 18.1 tt0 -93.22 177.89 5.91 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.515 -0.55 . . . . 75.439999999999998 109.515 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.644 ' H ' ' HG2' ' A' ' 103' ' ' GLU . 35.5 m80 -74.08 122.64 23.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.233 0.539 . . . . 74.319999999999993 111.417 -176.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -82.22 81.34 8.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.681 -0.691 . . . . 74.209999999999994 110.029 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.62 107.74 19.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.898 -0.592 . . . . 71.150000000000006 110.495 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -178.1 -27.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.833 -0.621 . . . . 74.340000000000003 110.107 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 65.94 14.21 9.46 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.443 -0.799 . . . . 45.210000000000001 111.281 178.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.463 -0.78 . . . . 72.120000000000005 109.302 179.152 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.405 0.145 . . . . 74.519999999999996 110.804 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 47.59 61.26 3.02 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 124.108 0.88 . . . . 74.519999999999996 112.489 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 56.4 ttp -143.4 90.18 2.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.131 0.491 . . . . 61.0 110.338 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -119.78 84.24 2.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.501 -0.772 . . . . 72.25 109.811 176.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -122.49 100.26 6.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.025 -0.534 . . . . 75.430000000000007 110.157 -177.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.8 t -84.13 121.57 36.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.84 -0.618 . . . . 71.409999999999997 110.582 -178.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.84 136.2 59.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.878 0.371 . . . . 71.420000000000002 110.515 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -161.15 133.38 5.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.114 -0.493 . . . . 74.109999999999999 110.242 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.96 161.83 20.92 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.827 -0.624 . . . . 65.200000000000003 111.602 -174.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.5 p -124.7 94.57 4.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.725 -0.671 . . . . 72.230000000000004 109.977 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t -158.44 92.31 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.034 -0.53 . . . . 75.010000000000005 110.36 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.616 HG21 ' HG3' ' A' ' 13' ' ' LYS . 14.5 t -155.48 -16.38 0.11 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.055 -0.52 . . . . 74.420000000000002 110.34 176.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.616 ' HG3' HG21 ' A' ' 12' ' ' THR . 48.0 mtpt -115.71 138.69 50.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.866 -0.606 . . . . 72.329999999999998 109.903 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.55 91.01 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 119.962 -1.113 . . . . 54.340000000000003 113.422 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.7 t 54.72 87.64 0.04 OUTLIER 'General case' 0 C--O 1.234 0.249 0 C-N-CA 123.058 0.543 . . . . 64.129999999999995 111.807 175.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.36 -61.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.271 -0.422 . . . . 75.450000000000003 111.251 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.608 HG22 ' HA ' ' A' ' 56' ' ' ALA . 17.3 pt -102.8 76.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.148 0.499 . . . . 75.239999999999995 112.251 -174.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -177.93 104.58 0.05 OUTLIER 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.293 -0.867 . . . . 73.129999999999995 109.818 173.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.598 HD13 ' HB3' ' A' ' 95' ' ' LEU . 63.4 mt -90.09 -61.9 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.046 -0.524 . . . . 74.239999999999995 110.874 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.85 32.33 1.02 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.784 -0.722 . . . . 53.240000000000002 111.644 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.1 m -124.66 122.16 36.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.841 0.353 . . . . 74.200000000000003 110.157 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.0 m -87.77 149.29 4.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.688 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.5 tt -158.95 -47.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.25 -0.432 . . . . 75.219999999999999 110.377 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 67.66 107.15 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.851 0.719 . . . . 74.530000000000001 111.715 175.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -79.4 160.42 26.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.633 -0.712 . . . . 52.200000000000003 111.202 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -87.19 -17.39 32.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.435 -0.802 . . . . 71.420000000000002 110.327 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -156.3 168.03 28.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.019 -0.537 . . . . 70.209999999999994 109.717 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.2 m -98.57 13.4 32.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.0 0.429 . . . . 72.120000000000005 111.838 -175.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 m -100.2 123.13 44.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.983 0.421 . . . . 63.420000000000002 109.953 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.601 ' HB3' ' HB2' ' A' ' 82' ' ' PHE . 14.0 t -98.61 105.13 17.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.789 0.328 . . . . 72.530000000000001 110.343 -176.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -101.3 121.86 42.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.975 -0.557 . . . . 73.140000000000001 110.245 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.401 ' CE2' ' HB2' ' A' ' 34' ' ' ARG . 68.0 t80 -124.3 117.55 24.78 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.242 -0.651 . . . . 71.140000000000001 109.242 174.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -125.68 106.72 9.93 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.761 -0.459 . . . . 73.219999999999999 109.761 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.401 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 1.8 tmt_? -132.51 144.63 50.57 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.753 -0.462 . . . . 73.540000000000006 109.753 -174.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 78.8 m-85 -94.86 130.5 41.43 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.277 -0.419 . . . . 74.340000000000003 109.964 178.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.46 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 80.7 m-85 -120.97 156.75 31.43 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.65 -0.25 . . . . 72.439999999999998 110.794 -178.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.75 -49.27 58.39 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.849 0.718 . . . . 72.209999999999994 112.138 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.4 p -135.26 168.5 19.07 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.601 -0.272 . . . . 74.430000000000007 110.364 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.685 ' HA ' HG23 ' A' ' 76' ' ' VAL . 20.3 ptp180 -66.26 -19.6 65.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.323 0.582 . . . . 75.409999999999997 109.511 177.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -62.61 -49.51 74.92 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.224 -0.898 . . . . 73.040000000000006 110.145 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.46 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 20.5 mm-40 -58.1 -29.66 65.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.856 -1.065 . . . . 71.239999999999995 110.944 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.586 ' HB1' HD22 ' A' ' 78' ' ' LEU . . . -68.78 -48.66 63.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.834 -0.621 . . . . 72.340000000000003 110.111 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -63.04 -38.4 91.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.76 -0.655 . . . . 74.099999999999994 110.823 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -60.83 -38.58 85.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.415 -0.357 . . . . 65.420000000000002 111.255 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.503 ' O ' HD22 ' A' ' 49' ' ' LEU . 50.5 t80 -71.89 -39.41 69.59 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.511 -0.551 . . . . 73.310000000000002 109.511 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.428 ' O ' ' HD3' ' A' ' 50' ' ' LYS . 40.3 tpp -67.7 -29.92 69.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.885 -0.598 . . . . 75.349999999999994 111.072 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.9 m -59.81 -48.48 81.5 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 120.696 0.284 . . . . 75.349999999999994 111.335 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -73.14 -27.18 61.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.13 0.491 . . . . 64.430000000000007 110.724 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.503 HD22 ' O ' ' A' ' 45' ' ' PHE . 1.2 mm? -63.26 -34.62 78.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.642 -0.708 . . . . 74.129999999999995 111.059 175.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' A' ' 46' ' ' MET . 1.8 mptm? -53.76 -49.29 68.54 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.892 0.377 . . . . 73.510000000000005 110.792 176.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -61.04 -47.51 86.07 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.624 -0.716 . . . . 73.430000000000007 110.656 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.659 HD11 HD22 ' A' ' 100' ' ' LEU . 96.7 mt -63.08 -50.09 71.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.32 -0.855 . . . . 75.109999999999999 111.496 -176.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.65 -37.58 76.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 64.299999999999997 111.238 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.75 78.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 73.329999999999998 111.556 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.38 -29.99 23.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.338 -0.392 . . . . 52.200000000000003 111.677 -177.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.608 ' HA ' HG22 ' A' ' 17' ' ' ILE . . . -77.49 -52.13 9.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.186 0.439 . . . . 75.120000000000005 112.186 -175.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.1 t -77.95 141.11 39.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.158 0.504 . . . . 73.0 111.395 -173.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.6 p -72.87 -11.64 60.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.575 -0.739 . . . . 62.200000000000003 110.472 175.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.96 -13.56 60.53 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.076 -0.511 . . . . 63.409999999999997 109.967 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.2 t70 72.63 -37.63 0.39 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.216 -0.902 . . . . 73.150000000000006 112.503 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -86.13 5.13 35.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.654 0.264 . . . . 75.400000000000006 111.566 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.8 8.95 60.25 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.834 -0.698 . . . . 63.520000000000003 112.97 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 83' ' ' THR . . . 64.82 -162.02 0.27 Allowed 'General case' 0 C--O 1.234 0.27 0 C-N-CA 122.665 0.386 . . . . 75.329999999999998 110.864 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.517 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 19.9 m -66.75 108.86 2.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.065 -0.346 . . . . 73.519999999999996 110.065 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -117.36 124.48 73.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.313 0.578 . . . . 61.350000000000001 111.214 -177.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.24 143.34 35.93 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.645 -0.707 . . . . 75.5 109.142 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -154.5 152.9 30.64 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.534 -0.466 . . . . 74.310000000000002 110.939 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.408 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 47.0 mtmt -131.65 160.14 36.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.759 -0.655 . . . . 74.219999999999999 110.463 175.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.4 HG12 HD22 ' A' ' 78' ' ' LEU . 63.3 mt -132.24 104.52 7.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.928 -1.033 . . . . 75.510000000000005 109.291 176.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -98.8 123.78 43.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.971 0.415 . . . . 75.549999999999997 110.039 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.65 ' HA ' HG12 ' A' ' 76' ' ' VAL . 8.1 p-10 -76.17 131.82 39.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.697 -0.683 . . . . 63.240000000000002 110.74 -177.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.5 mt -126.12 -172.78 2.69 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.468 -0.567 . . . . 65.109999999999999 109.468 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.56 106.34 16.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.057 0.456 . . . . 75.209999999999994 109.917 -179.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.67 -1.61 88.71 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.653 -0.703 . . . . 62.130000000000003 113.007 175.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -163.18 169.92 18.57 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.934 -0.395 . . . . 64.400000000000006 109.934 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.685 HG23 ' HA ' ' A' ' 39' ' ' ARG . 27.7 m -130.89 160.89 41.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.611 -0.268 . . . . 73.140000000000001 110.553 177.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -102.24 114.26 28.26 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.106 -0.497 . . . . 74.430000000000007 110.339 176.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.586 HD22 ' HB1' ' A' ' 42' ' ' ALA . 3.2 tm? -95.34 111.42 23.29 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.186 -1.042 . . . . 74.200000000000003 108.186 174.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -118.13 106.1 12.51 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.894 -0.594 . . . . 75.019999999999996 110.005 -175.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.03 134.9 50.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.105 -0.498 . . . . 72.310000000000002 111.394 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.94 110.04 13.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.601 -0.727 . . . . 53.0 110.437 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.601 ' HB2' ' HB3' ' A' ' 30' ' ' SER . 92.5 m-85 -109.92 151.84 26.57 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.755 -0.461 . . . . 75.549999999999997 109.755 176.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.517 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 37.5 m -137.5 103.88 5.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.632 -0.507 . . . . 73.349999999999994 109.632 174.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.58 ' HB3' ' HG3' ' A' ' 89' ' ' GLU . 97.7 m-85 -88.88 162.38 16.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.804 -0.635 . . . . 73.340000000000003 111.46 -171.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.3 m -69.54 -32.48 71.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.64 -0.709 . . . . 73.349999999999994 110.918 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 53.2 t -144.38 155.8 43.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.23 -0.441 . . . . 71.340000000000003 110.277 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.609 ' HA ' ' HB3' ' A' ' 90' ' ' MET . 6.0 tt0 -67.5 -21.85 65.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.383 -0.371 . . . . 73.420000000000002 110.674 177.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.46 -45.06 81.05 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.418 -0.355 . . . . 71.239999999999995 110.752 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.58 ' HG3' ' HB3' ' A' ' 84' ' ' PHE . 7.0 pt-20 -82.03 -26.0 34.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 73.349999999999994 110.722 178.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.609 ' HB3' ' HA ' ' A' ' 87' ' ' GLN . 13.3 tpt -62.48 -56.91 13.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.008 -0.542 . . . . 72.120000000000005 111.366 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 87' ' ' GLN . 24.6 pt -59.83 -45.8 94.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.457 -0.338 . . . . 75.129999999999995 111.805 -175.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.423 ' N ' HG13 ' A' ' 91' ' ' ILE . 2.8 pp -68.76 -29.65 44.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.51 0.195 . . . . 62.130000000000003 111.072 -176.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.586 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 92.6 t80 -65.8 -52.4 51.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.538 -0.301 . . . . 71.109999999999999 110.823 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -73.15 -28.74 62.4 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.892 -0.323 . . . . 70.150000000000006 111.169 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.598 ' HB3' HD13 ' A' ' 19' ' ' ILE . 69.3 mt -65.83 -46.66 77.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.929 0.395 . . . . 73.040000000000006 109.941 173.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 100' ' ' LEU . 10.9 t -66.86 -22.6 65.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.972 -0.558 . . . . 74.299999999999997 111.33 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.1 mt -62.02 -50.51 71.73 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.369 0.604 . . . . 75.420000000000002 109.949 174.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -72.28 -29.79 64.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.168 -0.924 . . . . 73.310000000000002 110.922 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.9 m -97.8 8.49 44.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.951 -0.568 . . . . 65.140000000000001 112.448 -173.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.659 HD22 HD11 ' A' ' 52' ' ' LEU . 29.7 tp -87.01 -27.25 23.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.351 0.596 . . . . 64.409999999999997 109.987 177.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.06 -20.63 25.48 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.703 -0.681 . . . . 65.400000000000006 109.392 174.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.8 mt -129.33 85.82 2.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.105 -0.952 . . . . 44.340000000000003 109.875 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -78.06 10.64 2.76 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.305 0.483 . . . . 71.129999999999995 112.305 -175.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -74.04 -12.23 60.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.136 -0.69 . . . . 61.43 109.136 169.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -108.16 71.06 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.77 -0.65 . . . . 65.219999999999999 109.951 173.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -151.85 -30.93 0.16 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.586 -0.524 . . . . 74.319999999999993 109.586 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -94.01 144.14 25.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.74 -0.663 . . . . 74.450000000000003 109.874 171.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 179.58 -24.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.896 -0.779 . . . . 74.5 108.896 -174.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 8.3 p80 . . . . . 0 C--O 1.246 0.89 0 CA-C-N 114.655 -1.157 . . . . 74.310000000000002 109.499 178.568 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.867 0.365 . . . . 74.310000000000002 110.449 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.26 81.35 0.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.707 -0.679 . . . . 75.439999999999998 110.073 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -142.14 105.21 4.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.358 0.599 . . . . 74.140000000000001 110.756 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -130.19 33.12 4.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.535 -0.757 . . . . 74.040000000000006 109.278 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -83.29 101.09 11.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.995 0.902 . . . . 74.420000000000002 111.572 -174.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.7 m -142.38 35.47 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.81 -1.086 . . . . 64.420000000000002 109.409 174.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.9 t -86.3 94.35 4.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 114.897 -1.047 . . . . 63.130000000000003 111.562 -171.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -146.55 147.57 31.26 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.049 -0.722 . . . . 73.219999999999999 109.049 171.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -130.28 90.42 2.94 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.977 0.894 . . . . 70.140000000000001 110.356 -176.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.54 112.23 24.89 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.783 -1.099 . . . . 63.420000000000002 111.108 -177.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.6 t -143.48 91.31 2.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.73 -0.668 . . . . 73.299999999999997 109.907 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.7 p -105.01 133.98 48.88 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.849 -0.614 . . . . 71.349999999999994 109.975 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.609 ' HZ3' ' HB2' ' A' ' 13' ' ' LYS . 4.8 ttmp? -93.76 -46.32 7.28 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.863 -0.608 . . . . 74.400000000000006 109.914 178.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.79 -115.92 5.44 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.899 -0.667 . . . . 74.319999999999993 112.283 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.1 t 68.62 5.97 5.19 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.023 0.529 . . . . 64.310000000000002 111.473 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.96 98.13 11.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.6 -0.273 . . . . 62.200000000000003 111.327 -176.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.5 mm 70.27 135.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 O-C-N 123.787 0.68 . . . . 75.450000000000003 111.484 176.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.84 -54.26 16.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.974 0.416 . . . . 71.400000000000006 110.402 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.532 HG12 ' OG ' ' A' ' 99' ' ' SER . 6.0 mt -111.65 -74.53 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.749 0.785 . . . . 75.310000000000002 110.375 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 152.47 -28.99 0.86 Allowed Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 109.919 -1.272 . . . . 50.200000000000003 109.919 -174.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -86.55 130.88 34.33 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.301 -0.629 . . . . 73.510000000000005 109.301 173.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.9 m -120.7 176.24 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.72 0.295 . . . . 71.549999999999997 111.28 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 68.8 mt 66.27 77.44 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.961 0.886 . . . . 74.400000000000006 111.297 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -129.07 21.13 5.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.679 -1.146 . . . . 65.439999999999998 108.797 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.592 ' HA ' ' HE1' ' A' ' 90' ' ' MET . 4.6 p-10 -83.59 160.86 21.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.227 -0.897 . . . . 75.25 111.511 -174.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -155.49 -63.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.428 -0.806 . . . . 72.030000000000001 109.591 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -141.93 -172.19 3.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.575 -0.738 . . . . 71.129999999999995 109.401 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.6 m -83.73 -16.92 43.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.675 0.75 . . . . 63.409999999999997 109.532 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.6 m -104.41 121.48 43.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.1 -0.954 . . . . 63.329999999999998 109.93 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t -105.4 133.6 49.89 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.657 -0.497 . . . . 44.509999999999998 109.657 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 3.0 mmmp? -99.35 112.35 24.55 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.647 -0.501 . . . . 74.420000000000002 109.647 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.581 ' HE2' ' HE2' ' A' ' 45' ' ' PHE . 84.7 t80 -115.37 119.95 37.97 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.866 -0.606 . . . . 72.439999999999998 110.211 -175.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 9.4 p -115.18 139.82 49.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.552 0.692 . . . . 51.43 111.388 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -139.03 144.55 38.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.135 -0.939 . . . . 74.420000000000002 109.555 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -115.15 129.65 56.72 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.016 0.436 . . . . 71.019999999999996 110.401 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -131.73 174.02 10.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.624 -0.716 . . . . 74.109999999999999 110.561 -176.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.26 -58.01 5.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.89 -0.595 . . . . 64.329999999999998 110.857 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 49.1 p -122.86 160.47 26.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.519 -0.31 . . . . 62.409999999999997 110.543 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.723 ' HG3' HG22 ' A' ' 69' ' ' ILE . 32.7 ttt180 -55.27 -32.17 62.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.094 0.473 . . . . 71.310000000000002 110.264 175.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -54.74 -52.27 63.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.52 -0.764 . . . . 73.150000000000006 110.436 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.97 -29.05 69.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.047 -0.979 . . . . 73.010000000000005 110.555 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.51 -48.41 22.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.768 -0.651 . . . . 62.119999999999997 110.825 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.37 -25.67 66.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 73.530000000000001 110.706 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.2 m -65.05 -28.74 69.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 74.150000000000006 110.865 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.581 ' HE2' ' HE2' ' A' ' 32' ' ' PHE . 38.3 t80 -79.27 -34.78 42.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.293 0.568 . . . . 72.200000000000003 109.513 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 37.4 tpp -65.29 -36.25 83.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.514 -0.766 . . . . 75.319999999999993 111.412 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.5 m -56.17 -52.0 65.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.482 -0.327 . . . . 72.030000000000001 111.805 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -72.57 -28.74 63.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.904 0.383 . . . . 72.439999999999998 111.417 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.471 HD13 ' HZ ' ' A' ' 93' ' ' PHE . 3.4 mm? -69.94 -24.98 63.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.437 -0.347 . . . . 75.519999999999996 111.219 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -56.92 -44.09 82.06 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.053 0.454 . . . . 70.120000000000005 110.861 176.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -63.14 -44.95 94.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.63 -0.714 . . . . 71.209999999999994 110.355 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.82 -42.67 94.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.257 -0.883 . . . . 60.109999999999999 111.245 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.27 -43.11 99.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.697 0.284 . . . . 65.030000000000001 111.479 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.29 83.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.992 0.425 . . . . 75.25 110.832 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.06 -35.58 80.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.962 -0.563 . . . . 53.539999999999999 110.801 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.419 ' HB1' ' HB2' ' A' ' 93' ' ' PHE . . . -64.14 -48.82 74.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.692 -0.685 . . . . 65.319999999999993 111.128 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.576 ' HA ' ' HB3' ' A' ' 89' ' ' GLU . 9.3 t -64.45 -24.18 67.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.127 0.489 . . . . 73.349999999999994 110.066 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.1 m 66.3 8.98 6.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.452 -0.794 . . . . 53.509999999999998 111.621 174.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -101.64 19.67 17.63 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.058 -0.519 . . . . 63.229999999999997 111.396 -175.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 66.84 -73.19 0.08 Allowed 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.75 0.656 . . . . 73.200000000000003 111.372 177.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -99.51 -21.43 15.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.493 -0.776 . . . . 73.319999999999993 110.313 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.94 115.73 8.28 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.549 -0.75 . . . . 73.140000000000001 112.588 -178.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.05 124.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 122.715 0.406 . . . . 71.239999999999995 109.965 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.607 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 68.9 m -119.87 119.65 34.16 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.819 -0.437 . . . . 73.420000000000002 109.819 176.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -134.1 115.87 21.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.545 0.688 . . . . 72.25 111.278 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -108.49 96.54 6.42 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.002 -0.74 . . . . 75.239999999999995 109.002 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 38.2 p90 -106.38 135.6 47.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.392 0.615 . . . . 72.409999999999997 111.245 -175.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -111.58 139.0 47.38 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.088 -0.96 . . . . 54.009999999999998 109.401 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.723 HG22 ' HG3' ' A' ' 39' ' ' ARG . 26.4 mt -122.76 106.81 18.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.865 -0.607 . . . . 62.399999999999999 109.449 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.603 ' HB3' ' HG2' ' A' ' 77' ' ' GLU . 49.2 tptt -100.87 116.39 32.64 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.349 -0.54 . . . . 72.430000000000007 110.363 -176.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.733 ' HA ' HG13 ' A' ' 76' ' ' VAL . 4.7 m-20 -75.22 103.67 5.48 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.899 -1.046 . . . . 73.409999999999997 109.192 176.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.4 mt -97.78 -169.69 1.87 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.818 -0.628 . . . . 74.099999999999994 110.958 -173.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' A' ' 73' ' ' GLU . 5.8 pt-20 -89.85 101.55 14.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.448 -0.796 . . . . 60.32 110.687 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.01 -11.0 73.5 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.673 -0.694 . . . . 54.219999999999999 112.645 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -156.52 179.0 9.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.751 -0.463 . . . . 74.340000000000003 109.751 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.733 HG13 ' HA ' ' A' ' 71' ' ' ASP . 29.8 m -137.03 154.91 31.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 110.065 -0.346 . . . . 74.329999999999998 110.065 174.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.603 ' HG2' ' HB3' ' A' ' 70' ' ' LYS . 12.8 pt-20 -113.89 126.12 54.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.625 0.726 . . . . 73.439999999999998 110.218 174.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.514 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -97.45 107.73 20.31 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.673 -1.148 . . . . 73.450000000000003 107.923 174.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -113.57 100.08 8.23 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.531 -0.759 . . . . 73.519999999999996 109.563 -173.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -108.49 124.57 50.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.162 0.506 . . . . 53.420000000000002 111.884 -174.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.28 101.01 12.47 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.661 -0.7 . . . . 74.319999999999993 110.036 172.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -90.09 117.21 28.69 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.695 -0.483 . . . . 75.010000000000005 109.695 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.607 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 10.0 m -109.56 105.32 14.58 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.039 -0.528 . . . . 65.319999999999993 110.413 -176.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.4 ' HB3' ' HB2' ' A' ' 89' ' ' GLU . 99.2 m-85 -96.72 157.02 16.1 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.813 -0.63 . . . . 74.5 109.813 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.1 m -83.41 -16.21 46.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.211 0.529 . . . . 74.219999999999999 110.387 -177.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.575 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 21.6 m -134.19 141.24 46.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.14 -0.689 . . . . 74.0 109.14 174.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.556 ' O ' HG12 ' A' ' 91' ' ' ILE . 29.3 tt0 -65.6 -27.02 68.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.784 0.326 . . . . 71.129999999999995 110.25 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.79 77.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.93 -0.577 . . . . 74.409999999999997 110.467 175.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.576 ' HB3' ' HA ' ' A' ' 57' ' ' SER . 45.7 mt-10 -65.86 -31.75 72.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.817 -0.629 . . . . 70.439999999999998 110.32 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.592 ' HE1' ' HA ' ' A' ' 25' ' ' ASN . 16.7 tmm? -72.72 -49.85 28.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.688 -0.687 . . . . 73.519999999999996 110.638 -178.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.601 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 7.6 pt -67.6 -38.63 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.16 0.43 . . . . 63.219999999999999 112.16 -176.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 pp -65.95 -30.28 49.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 121.059 0.457 . . . . 71.439999999999998 110.144 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.567 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 53.9 t80 -68.91 -50.5 49.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.532 -0.758 . . . . 73.409999999999997 109.808 175.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.589 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 77.2 mm-40 -56.71 -38.34 72.19 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.578 -0.737 . . . . 73.099999999999994 112.08 178.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 82.9 mt -59.92 -53.46 57.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.657 -0.247 . . . . 72.200000000000003 110.992 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.1 m -60.72 -34.52 74.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.578 -0.283 . . . . 73.0 110.931 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 74.7 mt -63.09 -40.83 98.81 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.966 0.412 . . . . 74.049999999999997 110.663 177.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.589 ' NH1' ' HB3' ' A' ' 94' ' ' GLU . 48.5 mtt85 -67.95 -40.73 83.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.915 -0.584 . . . . 75.439999999999998 111.049 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.532 ' OG ' HG12 ' A' ' 19' ' ' ILE . 41.0 m -64.59 -34.67 78.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.003 0.43 . . . . 64.439999999999998 110.935 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.5 tp -75.04 -19.71 59.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.109 0.481 . . . . 74.420000000000002 110.58 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.54 ' O ' ' HB2' ' A' ' 105' ' ' HIS . . . -86.64 5.42 36.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.245 -0.434 . . . . 70.420000000000002 110.744 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.4 mt -92.1 -25.68 18.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.414 . . . . 61.240000000000002 111.271 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.45 ' CD ' ' HD1' ' A' ' 104' ' ' HIS . 0.1 OUTLIER -85.32 -32.1 22.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.691 0.281 . . . . 74.430000000000007 110.988 -178.757 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.45 ' HD1' ' CD ' ' A' ' 103' ' ' GLU . 31.6 m80 -119.4 89.7 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.338 0.59 . . . . 73.140000000000001 109.967 170.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.54 ' HB2' ' O ' ' A' ' 101' ' ' ALA . 58.5 t-80 -137.91 97.94 3.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.328 -0.851 . . . . 70.109999999999999 110.264 -176.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -65.9 144.55 56.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.648 -0.871 . . . . 72.129999999999995 108.648 168.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -51.63 -47.18 63.78 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.431 0.457 . . . . 64.510000000000005 111.659 -170.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -156.37 -57.65 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.764 -0.458 . . . . 75.329999999999998 109.764 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 . . . . . 0 C--O 1.244 0.8 0 N-CA-C 108.733 -0.84 . . . . 75.230000000000004 108.733 171.572 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.998 0.428 . . . . 61.439999999999998 110.096 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.03 96.94 2.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.108 -0.496 . . . . 63.450000000000003 110.486 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.783 ' HE1' HG12 ' A' ' 6' ' ' VAL . 21.0 ptm -155.17 111.19 3.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.309 0.576 . . . . 75.239999999999995 109.853 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -85.37 -30.35 23.72 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.666 -0.697 . . . . 63.119999999999997 110.851 -176.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -122.81 116.64 24.03 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.006 -0.543 . . . . 73.040000000000006 110.805 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.783 HG12 ' HE1' ' A' ' 3' ' ' MET . 35.8 m -92.25 131.42 39.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-N 115.961 -0.563 . . . . 55.399999999999999 110.658 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.0 t -102.16 122.65 54.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.106 -0.497 . . . . 73.400000000000006 110.755 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -159.06 118.66 3.05 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.7 -0.682 . . . . 75.230000000000004 109.365 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -95.84 111.53 23.49 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.671 -0.695 . . . . 65.519999999999996 110.298 -175.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 p -111.56 89.3 3.02 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.916 -0.584 . . . . 61.219999999999999 111.331 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.1 t -81.13 137.84 35.93 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.138 -1.06 . . . . 64.349999999999994 108.138 171.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.9 m -77.35 85.84 3.76 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.426 0.632 . . . . 74.239999999999995 111.794 -172.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 19.3 ptmt -158.67 97.27 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.466 -0.788 . . . . 71.150000000000006 110.238 172.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.22 53.88 0.57 Allowed Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.183 -0.767 . . . . 72.430000000000007 111.183 176.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.8 m -84.35 80.19 9.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.265 0.555 . . . . 74.430000000000007 110.489 -177.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -142.97 104.64 4.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.611 -0.722 . . . . 73.340000000000003 110.453 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 tp -81.49 115.56 24.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.242 0.544 . . . . 71.439999999999998 109.68 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.499 ' HA ' HD11 ' A' ' 95' ' ' LEU . 13.1 t0 -161.07 135.46 7.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.658 -0.701 . . . . 74.5 111.011 -175.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.692 ' H ' HD23 ' A' ' 95' ' ' LEU . 44.6 mm -99.86 -11.42 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.52 -0.764 . . . . 71.010000000000005 109.887 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.04 9.6 31.81 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.515 -0.85 . . . . 72.219999999999999 112.286 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 m -81.29 100.41 9.16 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.395 -0.595 . . . . 64.340000000000003 109.395 176.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.1 125.08 61.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 121.584 0.706 . . . . 65.310000000000002 111.374 -174.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.6 tt -133.35 129.4 56.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.189 -0.914 . . . . 72.239999999999995 108.802 174.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -67.51 -78.39 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.96 0.409 . . . . 71.219999999999999 110.819 -173.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -161.23 139.03 9.27 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.92 -0.77 . . . . 71.120000000000005 108.92 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.4 ' HB3' ' H ' ' A' ' 27' ' ' ASN . 6.0 m-20 -159.37 -147.6 0.17 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.248 -0.887 . . . . 61.299999999999997 108.722 -171.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.449 ' C ' HD21 ' A' ' 27' ' ' ASN . 0.2 OUTLIER -85.51 176.58 8.15 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.528 -0.545 . . . . 63.229999999999997 109.528 171.649 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 67.1 m -104.97 13.25 31.3 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.033 0.444 . . . . 73.0 110.474 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.525 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 34.7 m -105.59 120.34 41.41 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.743 -0.662 . . . . 65.150000000000006 110.478 177.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.544 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 38.0 t -98.04 125.37 42.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.849 0.357 . . . . 71.5 110.383 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -100.57 112.02 24.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.766 -0.652 . . . . 62.310000000000002 109.585 174.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -120.58 117.89 28.77 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.038 -0.528 . . . . 74.310000000000002 110.116 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -115.24 113.38 23.81 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.183 -0.462 . . . . 74.150000000000006 109.909 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' A' ' 35' ' ' PHE . 1.5 tmt_? -123.23 134.94 54.08 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.423 -0.584 . . . . 73.040000000000006 109.423 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.413 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 78.2 m-85 -92.59 128.73 38.55 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.81 -0.632 . . . . 72.420000000000002 110.379 -178.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -121.14 169.06 10.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.249 -0.432 . . . . 75.140000000000001 110.323 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.58 -57.9 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.36 -0.382 . . . . 74.340000000000003 111.135 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.0 p -120.75 165.1 15.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.374 -0.376 . . . . 73.099999999999994 111.401 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -66.37 -21.97 66.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.439 0.638 . . . . 75.420000000000002 109.616 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -67.59 -45.67 74.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.302 -0.863 . . . . 71.329999999999998 109.88 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.99 -28.24 66.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.296 -0.865 . . . . 71.109999999999999 110.606 175.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.538 ' HB1' HD21 ' A' ' 78' ' ' LEU . . . -74.04 -51.41 15.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.835 -0.621 . . . . 71.030000000000001 110.82 -179.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.54 -36.67 83.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.044 -0.526 . . . . 70.209999999999994 111.165 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.9 m -65.71 -28.4 69.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.227 -0.442 . . . . 75.109999999999999 111.022 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.404 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 76.2 t80 -79.76 -44.62 20.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.952 0.405 . . . . 72.319999999999993 110.032 178.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 34.8 tpp -69.12 -39.13 79.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.937 -0.574 . . . . 71.120000000000005 111.863 -175.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 54.9 m -60.15 -44.79 94.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.587 0.232 . . . . 73.310000000000002 111.498 -178.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -74.22 -26.79 60.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.822 0.344 . . . . 55.450000000000003 110.39 177.44 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.406 HD12 HD12 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -61.75 -29.66 70.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.407 -0.36 . . . . 64.200000000000003 110.737 175.042 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 47' ' ' THR . 2.2 mptm? -60.4 -34.66 74.23 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.259 -0.428 . . . . 71.340000000000003 110.66 175.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.52 -43.14 90.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.299 0.571 . . . . 61.310000000000002 110.139 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.642 HD13 HD12 ' A' ' 100' ' ' LEU . 92.1 mt -62.66 -50.17 72.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.348 -0.842 . . . . 61.530000000000001 111.074 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.32 92.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 60.43 111.467 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.413 ' HA ' ' HA3' ' A' ' 62' ' ' GLY . . . -61.57 -42.31 98.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 74.540000000000006 111.384 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.67 -26.83 37.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.253 -0.43 . . . . 73.120000000000005 111.342 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.14 -53.43 11.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.35 -0.386 . . . . 72.5 111.262 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.502 ' HB3' ' HA2' ' A' ' 62' ' ' GLY . 48.3 t -88.17 -66.46 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.458 -0.337 . . . . 71.409999999999997 110.865 -177.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m 68.28 16.64 9.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.444 -0.798 . . . . 53.130000000000003 112.084 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.95 -78.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.689 0.281 . . . . 51.310000000000002 110.818 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -100.19 -62.1 1.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.403 0.62 . . . . 72.140000000000001 109.536 173.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -125.56 -19.69 4.92 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.123 -0.944 . . . . 75.329999999999998 109.104 173.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.502 ' HA2' ' HB3' ' A' ' 57' ' ' SER . . . 137.09 71.61 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.509 -0.853 . . . . 64.340000000000003 112.434 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 63.84 -173.6 0.17 Allowed 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 122.857 0.463 . . . . 74.540000000000006 111.623 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.9 m -110.19 122.66 48.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.834 -0.621 . . . . 61.030000000000001 109.86 176.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.411 HG13 ' HE2' ' A' ' 50' ' ' LYS . 4.7 p -107.2 117.31 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.653 0.74 . . . . 61.030000000000001 111.814 -178.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.85 98.81 6.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.301 -0.863 . . . . 64.0 109.242 172.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -121.19 158.55 27.78 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.712 -0.395 . . . . 75.129999999999995 110.448 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -135.87 162.94 31.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.808 -0.633 . . . . 75.019999999999996 111.317 174.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.2 mt -127.57 104.94 13.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.613 -1.176 . . . . 73.219999999999999 108.981 175.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.729 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 88.3 tttt -92.86 118.38 31.06 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.059 0.457 . . . . 61.130000000000003 110.082 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -77.12 106.8 9.06 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.162 -0.926 . . . . 74.340000000000003 109.501 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 94.7 mt -101.33 -174.62 2.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.238 -0.437 . . . . 75.349999999999994 110.57 -176.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -94.95 99.6 11.59 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.098 0.475 . . . . 73.329999999999998 110.393 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.3 6.55 68.54 Favored Glycine 0 CA--C 1.515 0.085 0 CA-C-N 115.762 -0.654 . . . . 75.219999999999999 112.419 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 18.9 pt20 -170.79 179.47 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.328 -0.619 . . . . 74.25 109.328 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.9 m -137.41 154.81 30.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.844 0.354 . . . . 73.239999999999995 110.443 175.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.729 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 28.7 tt0 -104.56 113.47 27.06 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.931 -0.577 . . . . 75.329999999999998 110.014 177.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.538 HD21 ' HB1' ' A' ' 42' ' ' ALA . 3.1 tm? -93.43 109.1 20.68 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.146 -1.057 . . . . 60.030000000000001 108.146 174.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -113.17 112.02 23.08 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.723 -0.671 . . . . 75.439999999999998 110.029 -173.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.47 136.32 52.11 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.916 0.389 . . . . 73.239999999999995 111.473 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.544 ' HA ' ' O ' ' A' ' 30' ' ' SER . . . -129.39 106.82 9.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.794 -0.639 . . . . 71.120000000000005 109.815 172.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.525 ' O ' ' HA ' ' A' ' 29' ' ' THR . 91.4 m-85 -105.56 116.39 31.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.953 -0.567 . . . . 75.329999999999998 110.475 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.6 m -97.58 107.57 20.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.207 -0.451 . . . . 74.209999999999994 110.278 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -90.76 171.76 9.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.96 -0.564 . . . . 72.140000000000001 110.53 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.71 -46.83 43.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.406 0.622 . . . . 64.030000000000001 109.852 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 81.5 m -134.35 158.97 42.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.445 -0.798 . . . . 74.510000000000005 109.791 175.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.475 ' O ' HG12 ' A' ' 91' ' ' ILE . 26.0 tt0 -60.55 -23.21 64.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.376 -0.375 . . . . 73.409999999999997 111.818 -177.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.63 74.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.816 0.341 . . . . 54.299999999999997 111.135 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -73.16 -28.69 62.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 71.340000000000003 110.65 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.403 ' HE1' ' HG3' ' A' ' 87' ' ' GLN . 56.8 ttp -75.26 -46.62 32.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 64.329999999999998 110.852 -177.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.501 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 16.4 pt -63.98 -40.86 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.482 -0.326 . . . . 74.200000000000003 111.841 -178.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 44.0 pt -66.59 -31.55 54.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.975 0.417 . . . . 63.509999999999998 110.492 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.586 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 79.1 t80 -67.61 -47.91 68.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.795 -0.638 . . . . 71.439999999999998 110.109 178.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -56.38 -44.31 80.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.555 . . . . 72.049999999999997 111.191 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.692 HD23 ' H ' ' A' ' 19' ' ' ILE . 86.8 mt -62.25 -45.59 92.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 73.439999999999998 110.503 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.8 m -61.84 -32.8 73.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.04 -0.527 . . . . 75.219999999999999 111.303 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 93.8 mt -61.87 -47.01 86.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.022 0.439 . . . . 75.239999999999995 110.503 176.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -65.54 -39.71 92.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.901 -0.59 . . . . 74.400000000000006 110.439 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.9 m -71.41 -10.21 59.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 75.439999999999998 111.677 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.642 HD12 HD13 ' A' ' 52' ' ' LEU . 10.1 tt -90.96 -52.85 4.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.836 0.35 . . . . 74.530000000000001 110.125 178.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.3 -32.5 74.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.857 -0.61 . . . . 70.0 110.141 177.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.4 mp -136.59 91.57 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.548 -0.751 . . . . 74.450000000000003 109.712 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -78.77 148.64 32.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.416 -0.356 . . . . 74.530000000000001 110.581 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.456 ' O ' ' HB2' ' A' ' 105' ' ' HIS . 67.2 m80 65.65 -166.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.695 0.622 . . . . 70.540000000000006 110.152 -177.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 104' ' ' HIS . 38.6 m80 72.81 160.37 0.23 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.266 0.555 . . . . 73.120000000000005 111.427 -179.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 47.3 t60 60.27 26.08 15.54 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.162 -0.926 . . . . 74.230000000000004 112.251 174.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -79.87 63.46 4.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.314 0.578 . . . . 72.040000000000006 110.711 176.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -132.12 108.98 9.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.746 -0.661 . . . . 65.239999999999995 111.018 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 12.0 m170 . . . . . 0 C--O 1.245 0.861 0 N-CA-C 109.055 -0.72 . . . . 63.009999999999998 109.055 174.515 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.7 mtp . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.84 0.353 . . . . 75.109999999999999 110.224 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.87 71.63 1.45 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.142 0.496 . . . . 75.540000000000006 110.374 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -154.39 121.94 5.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.857 -0.61 . . . . 74.120000000000005 110.868 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 ptpp? -160.51 26.37 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.861 -0.609 . . . . 74.209999999999994 110.254 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -68.0 144.94 54.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.862 -0.608 . . . . 71.439999999999998 110.081 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -122.41 136.87 57.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.071 0.462 . . . . 73.430000000000007 110.916 -176.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -125.19 124.45 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 115.949 -0.569 . . . . 73.010000000000005 110.199 176.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -138.56 155.46 48.35 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.94 -0.573 . . . . 71.209999999999994 109.777 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -109.14 125.0 51.72 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.18 -0.918 . . . . 73.239999999999995 109.942 -173.872 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.1 t -152.58 93.02 1.73 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.098 0.475 . . . . 64.310000000000002 109.981 176.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.5 m -151.16 87.15 1.38 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.911 -0.586 . . . . 73.540000000000006 109.519 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 t -146.37 123.02 11.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.453 0.644 . . . . 74.010000000000005 111.472 -175.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -133.2 164.89 26.04 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.234 -0.893 . . . . 74.099999999999994 108.745 173.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.45 13.31 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 119.556 -1.307 . . . . 72.319999999999993 113.82 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.5 t -86.09 96.39 9.86 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.603 -0.888 . . . . 74.120000000000005 108.603 176.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.62 -35.89 17.8 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.326 0.491 . . . . 72.129999999999995 112.326 -171.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.07 164.95 18.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 112.835 0.68 . . . . 73.200000000000003 112.835 -173.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -148.23 123.91 10.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.93 -1.032 . . . . 72.109999999999999 109.365 171.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.448 ' H ' HD21 ' A' ' 95' ' ' LEU . 23.3 mm -100.55 -15.98 7.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.951 0.405 . . . . 72.450000000000003 110.476 -176.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.46 37.38 94.72 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.812 -0.708 . . . . 51.229999999999997 112.157 -176.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 m -81.74 79.44 8.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.564 0.697 . . . . 64.219999999999999 110.924 -177.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 m -126.56 86.9 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.947 -1.024 . . . . 74.349999999999994 110.092 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.6 tp -152.55 129.31 2.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.798 -0.637 . . . . 74.120000000000005 110.444 -177.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.1 t70 62.0 89.64 0.08 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.675 -0.693 . . . . 63.219999999999999 111.609 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -160.09 158.64 30.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.725 -0.671 . . . . 72.310000000000002 110.194 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -156.48 -58.42 0.09 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.722 -0.844 . . . . 73.530000000000001 108.722 176.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -92.53 -170.45 2.48 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.07 -0.968 . . . . 70.450000000000003 109.486 173.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.5 m -104.59 66.02 0.78 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.221 0.534 . . . . 74.140000000000001 109.637 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 89.8 m -144.38 126.48 15.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.717 -0.674 . . . . 73.530000000000001 111.753 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.1 m -96.92 105.41 17.55 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.107 -0.951 . . . . 73.319999999999993 109.513 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.608 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -98.67 113.99 26.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.877 0.846 . . . . 74.200000000000003 109.77 178.439 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -116.15 118.1 31.9 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.659 -1.155 . . . . 64.299999999999997 110.522 -176.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 5.7 m -118.79 118.12 30.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.065 -0.516 . . . . 74.209999999999994 109.924 177.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.405 ' HD3' ' N ' ' A' ' 35' ' ' PHE . 2.3 tmt_? -142.81 141.96 31.76 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.501 -0.555 . . . . 71.420000000000002 109.501 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.405 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 92.5 m-85 -88.08 136.25 33.06 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.177 -0.465 . . . . 72.549999999999997 109.994 -178.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.516 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 64.9 m-85 -123.99 164.03 20.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.677 -0.238 . . . . 74.530000000000001 110.591 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.579 ' O ' ' HA ' ' A' ' 75' ' ' GLN . . . -56.21 -50.04 72.37 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.74 0.65 . . . . 73.450000000000003 112.107 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.1 p -140.86 170.92 14.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.423 -0.353 . . . . 71.519999999999996 110.635 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.454 ' HA ' HG22 ' A' ' 76' ' ' VAL . 19.3 ptt180 -58.95 -28.37 66.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.156 0.503 . . . . 72.5 110.105 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.47 -44.94 95.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.586 -0.734 . . . . 62.200000000000003 110.977 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 51.8 mm-40 -60.41 -28.83 68.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.189 -0.914 . . . . 75.420000000000002 110.592 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.687 ' HB3' HD21 ' A' ' 78' ' ' LEU . . . -70.43 -50.81 34.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.767 -0.651 . . . . 61.009999999999998 110.291 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.57 -35.34 75.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.882 -0.599 . . . . 71.209999999999994 110.721 175.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.6 m -65.05 -28.53 69.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.602 -0.726 . . . . 75.25 111.708 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.487 ' O ' HD21 ' A' ' 49' ' ' LEU . 56.2 t80 -85.52 -29.75 23.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.128 0.489 . . . . 73.200000000000003 110.08 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.619 ' HG3' ' HE3' ' A' ' 50' ' ' LYS . 32.5 tpp -73.03 -41.12 64.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.738 -0.664 . . . . 73.439999999999998 112.071 -173.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.869 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 18.9 m -53.35 -56.0 20.32 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.386 0.513 . . . . 74.409999999999997 112.386 -174.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -67.96 -27.42 66.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.888 0.375 . . . . 53.439999999999998 111.629 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.487 HD21 ' O ' ' A' ' 45' ' ' PHE . 3.5 mm? -70.88 -29.04 65.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.523 -0.308 . . . . 73.25 111.132 177.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.869 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 34.1 mttt -59.1 -42.31 90.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.027 0.441 . . . . 73.340000000000003 110.676 175.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.68 -41.45 95.13 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.555 -0.748 . . . . 65.219999999999999 110.051 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.88 -44.7 65.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.298 -0.864 . . . . 73.230000000000004 111.325 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.38 97.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 73.409999999999997 111.841 -176.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.28 90.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.969 0.414 . . . . 74.129999999999995 111.251 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.05 -17.54 59.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.024 -0.535 . . . . 65.120000000000005 111.277 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.01 -36.7 80.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.186 -0.461 . . . . 63.140000000000001 111.207 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.549 ' HB2' ' HA2' ' A' ' 62' ' ' GLY . 46.5 m -102.64 -25.75 13.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.637 0.256 . . . . 64.430000000000007 111.312 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.4 m 70.02 -17.51 0.25 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.093 0.775 . . . . 70.120000000000005 113.093 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.403 ' H ' ' C ' ' A' ' 57' ' ' SER . . . -78.28 71.47 4.75 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.223 -0.298 . . . . 70.530000000000001 111.533 -177.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 59.04 -85.42 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.686 0.795 . . . . 74.200000000000003 112.348 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -82.77 -20.9 34.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.604 -0.725 . . . . 63.130000000000003 110.329 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.549 ' HA2' ' HB2' ' A' ' 57' ' ' SER . . . 89.41 -99.07 2.52 Favored Glycine 0 N--CA 1.441 -0.994 0 N-CA-C 109.634 -1.386 . . . . 72.420000000000002 109.634 -169.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 83' ' ' THR . . . -167.36 -168.54 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.553 -0.165 . . . . 55.329999999999998 110.553 173.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.421 ' HB2' ' OG1' ' A' ' 83' ' ' THR . 67.7 m -56.39 125.07 20.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.643 0.608 . . . . 53.549999999999997 112.643 -174.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 p -123.45 115.25 44.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.543 0.687 . . . . 73.340000000000003 109.619 172.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.07 115.34 15.66 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.554 -0.748 . . . . 73.420000000000002 109.592 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.536 ' HA ' ' O ' ' A' ' 79' ' ' ASP . 45.4 p90 -124.35 138.33 54.39 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.321 0.581 . . . . 73.030000000000001 111.037 -179.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.491 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 37.7 mtmt -105.86 148.21 27.84 Favored 'General case' 0 CA--C 1.501 -0.908 0 CA-C-N 115.32 -0.855 . . . . 72.109999999999999 109.823 176.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 60.9 mt -122.98 102.21 11.06 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 N-CA-C 107.821 -1.177 . . . . 61.539999999999999 107.821 170.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -89.2 118.37 28.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.241 0.543 . . . . 64.439999999999998 110.205 -176.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -68.32 112.14 5.02 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.778 -1.101 . . . . 72.219999999999999 110.209 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 78.6 mt -116.35 179.1 4.09 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.716 -0.476 . . . . 75.299999999999997 109.716 175.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -87.48 106.04 17.71 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.282 -0.417 . . . . 71.129999999999995 109.882 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.55 -2.45 84.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.533 -0.842 . . . . 52.100000000000001 112.481 175.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.579 ' HA ' ' O ' ' A' ' 37' ' ' ALA . 20.2 pt20 -165.66 178.13 6.85 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.841 -0.429 . . . . 75.519999999999996 109.841 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.454 HG22 ' HA ' ' A' ' 39' ' ' ARG . 27.4 m -141.61 162.13 20.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.822 0.344 . . . . 71.150000000000006 110.879 176.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -105.37 117.4 33.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.077 -0.511 . . . . 75.299999999999997 109.725 173.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.687 HD21 ' HB3' ' A' ' 42' ' ' ALA . 3.3 tm? -96.53 113.92 25.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.897 -0.779 . . . . 74.400000000000006 108.897 175.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.536 ' O ' ' HA ' ' A' ' 67' ' ' TYR . 11.0 t70 -120.98 106.39 11.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.742 -0.663 . . . . 74.519999999999996 110.036 -176.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.83 124.13 47.6 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.784 0.326 . . . . 75.120000000000005 111.561 -176.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.57 102.97 12.0 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.817 -0.438 . . . . 71.219999999999999 109.817 175.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 29' ' ' THR . 87.9 m-85 -94.09 126.68 39.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.429 -0.351 . . . . 74.530000000000001 110.259 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.703 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 21.5 m -96.84 146.75 24.62 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.611 -0.515 . . . . 74.230000000000004 109.611 178.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.693 ' HB3' ' HB2' ' A' ' 89' ' ' GLU . 93.5 m-85 -124.2 147.35 48.08 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.222 -0.288 . . . . 74.409999999999997 110.222 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.3 m -65.51 -30.2 70.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.126 -0.488 . . . . 75.209999999999994 110.86 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.637 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 33.5 m -136.09 162.66 32.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.026 -0.534 . . . . 75.030000000000001 109.906 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.563 ' O ' ' HB3' ' A' ' 90' ' ' MET . 29.1 tt0 -75.75 -26.1 57.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.977 0.418 . . . . 75.010000000000005 110.045 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.59 88.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 63.109999999999999 110.082 173.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.693 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 1.3 mm-40 -62.79 -38.39 90.46 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.952 -0.567 . . . . 63.409999999999997 109.582 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.563 ' HB3' ' O ' ' A' ' 87' ' ' GLN . 11.5 tpt -54.05 -58.62 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.131 -0.941 . . . . 74.340000000000003 111.16 177.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.506 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.4 pt -70.91 -37.23 67.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.898 0.703 . . . . 73.120000000000005 112.898 -173.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 pp -67.02 -30.61 50.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 120.472 -0.491 . . . . 70.25 110.683 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.561 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 69.5 t80 -67.97 -47.81 67.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.733 -0.469 . . . . 73.150000000000006 109.733 175.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.553 ' O ' ' HD3' ' A' ' 98' ' ' ARG . 6.8 mm-40 -56.18 -47.71 77.78 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.673 -0.694 . . . . 73.140000000000001 110.875 176.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 98.1 mt -55.04 -45.15 75.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.182 0.515 . . . . 71.120000000000005 110.881 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.8 m -64.72 -38.58 91.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.682 -0.69 . . . . 75.219999999999999 111.357 -177.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 71.0 mt -63.04 -40.01 96.45 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.999 0.428 . . . . 75.540000000000006 111.099 -179.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.553 ' HD3' ' O ' ' A' ' 94' ' ' GLU . 9.7 mpt_? -74.79 -30.56 61.47 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.023 -0.535 . . . . 71.430000000000007 110.103 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.7 m -75.66 -0.74 21.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.149 0.499 . . . . 64.219999999999999 110.585 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.6 tt -109.44 -68.39 0.92 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.826 -0.624 . . . . 60.310000000000002 110.592 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -99.8 -31.06 11.71 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.37 0.507 . . . . 74.340000000000003 112.37 -173.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 98' ' ' ARG . 88.6 mt -105.5 50.95 0.77 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.865 0.364 . . . . 75.409999999999997 110.393 -176.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -53.48 -55.84 21.98 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.023 -0.99 . . . . 74.040000000000006 111.464 -173.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -80.59 102.26 9.69 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.268 -0.641 . . . . 73.439999999999998 109.268 176.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -126.92 83.61 2.18 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.805 -0.634 . . . . 75.420000000000002 110.945 -174.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -90.71 97.39 11.15 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.121 -0.696 . . . . 75.420000000000002 109.121 172.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -150.65 96.65 2.39 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.072 -0.714 . . . . 75.010000000000005 109.072 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 67.39 99.93 0.05 Allowed 'General case' 0 N--CA 1.465 0.277 0 O-C-N 124.116 0.885 . . . . 63.299999999999997 110.171 -176.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.521 -0.752 . . . . 74.310000000000002 111.042 -178.255 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.854 0.359 . . . . 72.319999999999993 110.298 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.91 155.59 4.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 62.130000000000003 110.768 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.4 ptm -123.74 141.47 51.99 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.083 -0.71 . . . . 75.219999999999999 109.083 175.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -155.4 102.72 2.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.434 0.635 . . . . 70.040000000000006 111.641 -175.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -141.98 159.77 41.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.787 -0.642 . . . . 74.150000000000006 109.642 174.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.9 m -133.96 160.68 41.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.224 -0.288 . . . . 63.25 110.224 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -130.88 131.6 64.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.271 0.558 . . . . 72.420000000000002 111.077 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -147.1 101.96 3.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.658 -0.701 . . . . 65.439999999999998 109.671 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -158.5 112.02 2.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.684 -0.689 . . . . 72.129999999999995 110.048 -176.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.1 m -143.82 29.26 1.38 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.133 0.492 . . . . 61.240000000000002 110.119 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 p -81.6 95.86 7.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.651 -0.704 . . . . 72.109999999999999 110.387 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.6 m -153.9 101.32 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.142 0.496 . . . . 75.510000000000005 111.305 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -152.92 144.74 23.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.644 -0.707 . . . . 65.140000000000001 109.892 173.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.17 20.66 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.039 -0.601 . . . . 54.43 112.522 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.6 m -79.44 107.86 12.53 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 110.123 -0.325 . . . . 74.010000000000005 110.123 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -152.7 -51.08 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.214 -0.448 . . . . 75.439999999999998 111.408 -176.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.5 tt -74.1 125.3 33.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.329 0.585 . . . . 75.519999999999996 110.877 -176.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -135.08 88.46 2.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.834 -0.621 . . . . 71.010000000000005 110.572 -176.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.1 pp -135.25 120.02 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-O 122.204 1.002 . . . . 53.25 111.363 176.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.66 45.53 2.73 Favored Glycine 0 C--N 1.312 -0.785 0 CA-C-N 114.572 -1.195 . . . . 52.340000000000003 111.436 174.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.3 m -134.56 129.89 35.72 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.173 -0.306 . . . . 55.299999999999997 110.173 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.7 m -114.2 170.46 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.925 0.393 . . . . 72.340000000000003 111.249 -178.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.6 tt -150.95 145.75 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.515 -0.766 . . . . 54.310000000000002 109.26 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -75.74 -82.36 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.667 0.27 . . . . 71.019999999999996 111.271 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -169.04 152.11 5.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.37 -0.377 . . . . 55.039999999999999 110.161 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -139.55 -85.27 0.24 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.261 -0.427 . . . . 55.43 109.948 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.419 ' HB3' ' H ' ' A' ' 28' ' ' CYS . 49.6 m-80 -146.34 -155.1 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.603 -0.888 . . . . 73.299999999999997 108.603 178.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.419 ' H ' ' HB3' ' A' ' 27' ' ' ASN . 53.9 m -111.03 3.91 19.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.383 0.611 . . . . 62.020000000000003 109.739 173.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.7 m -116.44 121.14 40.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.488 -0.778 . . . . 75.340000000000003 109.961 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.829 ' HB2' ' HG3' ' A' ' 90' ' ' MET . 11.6 t -104.17 127.55 51.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.986 0.422 . . . . 61.439999999999998 110.573 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -98.93 127.94 44.97 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.993 -0.549 . . . . 73.049999999999997 109.741 175.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -119.86 118.7 31.46 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.675 -0.491 . . . . 73.510000000000005 109.675 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m -128.57 116.66 19.99 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.134 -0.321 . . . . 62.119999999999997 110.134 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -137.89 142.62 40.66 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.092 -0.336 . . . . 72.109999999999999 110.092 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -91.03 144.29 25.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.419 -0.355 . . . . 73.540000000000006 110.665 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.427 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 89.4 m-85 -132.96 157.3 45.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.335 -0.393 . . . . 74.109999999999999 110.678 178.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.26 83.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 71.409999999999997 111.411 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -120.14 154.13 35.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.198 -0.455 . . . . 42.009999999999998 110.064 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.711 ' HA ' HG22 ' A' ' 76' ' ' VAL . 69.5 ttt-85 -58.87 -35.28 72.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.348 0.594 . . . . 74.030000000000001 110.356 175.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.55 -38.27 86.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.349 -0.841 . . . . 71.200000000000003 111.543 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 30.6 mm-40 -55.33 -33.03 62.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.188 -0.915 . . . . 64.030000000000001 110.771 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.478 ' HB3' HD21 ' A' ' 78' ' ' LEU . . . -76.26 -43.35 42.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.663 -0.698 . . . . 64.340000000000003 110.353 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -58.88 -47.86 83.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.736 -0.666 . . . . 72.120000000000005 110.38 178.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -64.15 -30.59 71.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.582 -0.735 . . . . 71.120000000000005 111.37 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.538 ' O ' HD21 ' A' ' 49' ' ' LEU . 38.1 t80 -75.96 -37.32 58.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.991 0.424 . . . . 72.420000000000002 110.233 -177.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.586 ' HE1' ' HB1' ' A' ' 80' ' ' ALA . 42.6 tpp -64.54 -26.24 68.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.063 -0.517 . . . . 71.109999999999999 111.107 -179.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.409 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 6.4 m -59.56 -48.54 81.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.392 -0.367 . . . . 70.430000000000007 111.642 -177.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -72.83 -28.35 62.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.83 0.348 . . . . 74.409999999999997 110.887 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.538 HD21 ' O ' ' A' ' 45' ' ' PHE . 3.7 mm? -62.56 -39.43 93.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.039 -0.528 . . . . 74.349999999999994 110.672 176.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 42.0 mttt -59.34 -47.65 84.62 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.403 -0.362 . . . . 74.129999999999995 111.305 177.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -59.51 -45.81 90.66 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.189 -0.46 . . . . 72.150000000000006 110.948 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.503 HD11 HD22 ' A' ' 97' ' ' LEU . 98.6 mt -64.73 -40.12 94.8 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.542 -0.754 . . . . 74.409999999999997 111.193 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.12 93.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.712 0.291 . . . . 75.099999999999994 110.99 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.28 -30.75 71.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 72.409999999999997 111.336 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.69 -28.73 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.424 -0.353 . . . . 71.129999999999995 111.245 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.27 -43.04 22.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 52.100000000000001 111.889 -177.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 p -72.89 130.66 40.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.223 0.535 . . . . 60.210000000000001 110.844 -177.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.3 m -106.98 18.63 21.55 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.486 0.66 . . . . 72.430000000000007 110.089 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.27 8.67 15.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.398 -0.819 . . . . 65.310000000000002 111.631 -177.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 70.13 -71.58 0.12 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.489 0.716 . . . . 61.0 112.59 174.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.41 -34.61 78.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.889 0.376 . . . . 75.409999999999997 111.011 -176.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.0 -152.65 24.78 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.879 -0.677 . . . . 55.399999999999999 111.797 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.96 157.36 43.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.824 -0.435 . . . . 72.310000000000002 109.824 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.93 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 66.7 m -73.83 106.81 5.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.457 -0.338 . . . . 63.149999999999999 110.464 178.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.521 HG22 ' HD2' ' A' ' 67' ' ' TYR . 4.0 p -116.0 115.72 50.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 121.402 0.62 . . . . 72.409999999999997 110.847 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 81' ' ' ALA . . . -100.09 96.74 7.71 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.775 -0.648 . . . . 61.219999999999999 109.673 175.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.521 ' HD2' HG22 ' A' ' 65' ' ' VAL . 4.9 p90 -99.34 120.08 38.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.213 0.53 . . . . 74.209999999999994 111.13 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -128.14 148.47 50.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.69 -0.686 . . . . 74.420000000000002 110.593 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.487 HG12 HD21 ' A' ' 78' ' ' LEU . 60.2 mt -131.9 105.39 9.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.109 -0.95 . . . . 60.399999999999999 109.103 177.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -86.79 115.99 24.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.605 0.717 . . . . 75.519999999999996 110.495 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.653 ' HA ' HG12 ' A' ' 76' ' ' VAL . 7.0 p-10 -80.11 105.36 11.33 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.265 -1.334 . . . . 72.530000000000001 110.119 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 72.4 mt -107.32 -174.53 2.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.72 -0.673 . . . . 73.510000000000005 110.182 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -87.87 104.78 16.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.997 0.427 . . . . 53.539999999999999 110.779 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.79 -17.75 58.72 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.914 -0.66 . . . . 74.219999999999999 112.643 175.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 14.2 pt20 -158.69 172.0 19.06 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.148 -0.316 . . . . 70.109999999999999 110.148 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.711 HG22 ' HA ' ' A' ' 39' ' ' ARG . 27.1 m -134.81 164.11 34.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.806 0.336 . . . . 73.230000000000004 110.872 178.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -116.9 117.2 29.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.925 -0.58 . . . . 72.540000000000006 110.11 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.487 HD21 HG12 ' A' ' 69' ' ' ILE . 3.2 tm? -89.13 113.67 24.86 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.191 -1.04 . . . . 52.43 108.191 174.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -126.96 119.57 27.02 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.764 -0.653 . . . . 73.200000000000003 110.409 -174.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.586 ' HB1' ' HE1' ' A' ' 46' ' ' MET . . . -130.32 133.15 46.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.18 0.514 . . . . 63.32 111.462 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.527 ' HB3' ' HB1' ' A' ' 66' ' ' ALA . . . -109.0 108.16 18.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.567 -0.742 . . . . 50.520000000000003 110.063 174.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -97.9 112.78 24.57 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.392 -0.367 . . . . 71.230000000000004 110.193 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.93 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 11.7 m -102.85 105.83 16.29 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.106 -0.497 . . . . 74.219999999999999 110.261 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -95.46 -168.57 1.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.23 -0.441 . . . . 74.420000000000002 110.418 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.8 m -99.49 -43.58 6.48 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.328 -0.619 . . . . 61.509999999999998 109.328 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 34.2 m -116.65 148.65 40.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.21 -0.905 . . . . 64.439999999999998 110.108 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.555 ' O ' HG12 ' A' ' 91' ' ' ILE . 27.1 tt0 -61.07 -31.23 70.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.25 -0.432 . . . . 75.219999999999999 110.47 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.54 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -52.78 -46.33 67.53 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.891 -0.595 . . . . 37.229999999999997 110.861 176.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.99 -35.93 82.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.349 -0.387 . . . . 65.010000000000005 110.569 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.829 ' HG3' ' HB2' ' A' ' 30' ' ' SER . 20.6 ttt -64.11 -57.86 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.828 -0.624 . . . . 72.319999999999993 110.823 178.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 87' ' ' GLN . 19.2 pt -65.37 -39.6 85.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.407 0.521 . . . . 73.319999999999993 112.407 -174.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 88' ' ' ALA . 40.1 pt -65.36 -30.99 51.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 120.747 -0.381 . . . . 75.0 110.479 179.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.539 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 75.1 t80 -67.89 -51.6 46.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.961 -0.563 . . . . 75.439999999999998 110.889 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.428 ' HA ' HD11 ' A' ' 97' ' ' LEU . 7.1 pt-20 -73.83 -27.61 61.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.588 -0.278 . . . . 74.120000000000005 111.711 -176.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 80.5 mt -68.99 -42.27 76.72 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.9 -0.407 . . . . 71.099999999999994 109.9 173.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.6 t -60.82 -36.78 79.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.009 -0.542 . . . . 73.439999999999998 110.6 176.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 94.1 mt -53.73 -48.94 69.14 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.959 0.409 . . . . 70.5 110.599 176.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -65.89 -39.3 90.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.772 -0.649 . . . . 73.409999999999997 110.974 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.8 t -64.68 -42.54 95.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 52.030000000000001 110.827 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.4 tp -71.16 -35.41 71.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.335 -0.393 . . . . 74.310000000000002 110.69 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.95 -26.1 68.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 74.150000000000006 110.988 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.828 HD21 ' HA ' ' A' ' 106' ' ' HIS . 4.2 pp -107.44 -8.93 16.1 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.783 -0.367 . . . . 63.329999999999998 111.211 -178.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 69.33 -65.93 0.28 Allowed 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.908 0.755 . . . . 74.530000000000001 111.479 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.573 ' O ' ' HB2' ' A' ' 105' ' ' HIS . 38.2 t-80 -164.77 137.76 4.76 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.862 -0.792 . . . . 75.230000000000004 108.862 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.573 ' HB2' ' O ' ' A' ' 104' ' ' HIS . 15.5 m80 77.56 117.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.944 0.777 . . . . 71.439999999999998 110.08 -171.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.828 ' HA ' HD21 ' A' ' 102' ' ' LEU . 15.3 t60 -61.7 109.6 1.26 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.476 -0.784 . . . . 75.329999999999998 111.454 -172.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -98.57 107.04 19.4 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.041 -0.726 . . . . 75.299999999999997 109.041 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -69.53 -51.21 37.77 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.858 0.318 . . . . 75.049999999999997 111.858 -174.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.375 -0.822 . . . . 72.420000000000002 110.58 -178.89 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 120.714 0.293 . . . . 73.019999999999996 110.504 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.79 125.4 29.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.216 -0.447 . . . . 70.239999999999995 110.574 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.0 ptm -143.52 156.22 44.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.076 -0.511 . . . . 73.209999999999994 110.22 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -149.23 116.38 6.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.905 0.383 . . . . 75.5 110.901 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -131.56 105.06 7.31 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.104 -0.498 . . . . 74.239999999999995 109.857 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.4 m -107.56 138.82 31.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.18 -0.464 . . . . 63.130000000000003 110.317 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.2 t -109.31 84.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.642 -0.503 . . . . 72.129999999999995 109.642 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -146.78 108.01 4.23 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-O 121.568 0.699 . . . . 74.340000000000003 111.598 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -148.88 86.3 1.51 Allowed 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.03 -1.441 . . . . 74.450000000000003 108.825 173.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 p -75.68 141.77 42.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.732 -0.667 . . . . 75.219999999999999 111.488 -174.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.7 m -96.95 101.85 13.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.081 -0.509 . . . . 40.219999999999999 110.127 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 11.7 p -113.87 -165.66 1.02 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.354 -0.385 . . . . 42.439999999999998 110.778 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 12' ' ' THR . 12.7 mptt 73.03 143.66 0.07 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.526 0.679 . . . . 71.510000000000005 111.645 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 148.7 101.0 0.24 Allowed Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.639 -0.71 . . . . 52.039999999999999 111.695 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 68.1 m -131.76 153.4 50.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.972 0.415 . . . . 71.120000000000005 111.49 -176.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -150.22 83.92 1.38 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.726 -0.67 . . . . 61.200000000000003 109.419 174.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.4 pt -141.5 -173.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 63.450000000000003 111.107 -175.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.7 t70 73.42 133.17 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 O-C-N 124.515 1.134 . . . . 73.439999999999998 111.419 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.6 mt -103.74 11.13 8.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.963 -0.562 . . . . 74.349999999999994 110.496 -175.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.93 -70.82 2.99 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.937 -0.865 . . . . 71.299999999999997 110.937 -173.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.782 ' HA ' HD11 ' A' ' 95' ' ' LEU . 26.1 m 75.13 117.96 0.05 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.678 0.751 . . . . 71.400000000000006 112.874 173.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.5 m -123.25 -173.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.966 -1.015 . . . . 71.150000000000006 109.296 174.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 84.6 mt 70.48 117.63 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 121.46 0.648 . . . . 44.530000000000001 111.35 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -84.29 104.72 14.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.85 -0.614 . . . . 75.230000000000004 110.865 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -71.51 136.24 47.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.202 -0.453 . . . . 72.129999999999995 109.889 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -84.09 -7.94 59.24 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.267 0.469 . . . . 71.450000000000003 112.267 -174.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.37 167.85 21.91 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.878 -0.329 . . . . 73.430000000000007 110.458 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.632 ' HA ' ' HE3' ' A' ' 90' ' ' MET . 75.4 m -102.6 14.75 31.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.994 0.426 . . . . 74.439999999999998 111.572 -177.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.9 m -106.44 131.21 53.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.292 -0.413 . . . . 71.510000000000005 110.219 176.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 24.8 t -97.98 116.23 29.78 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.655 -0.498 . . . . 72.439999999999998 109.655 178.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.58 113.17 25.42 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.668 -0.493 . . . . 74.129999999999995 109.668 177.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.462 ' HE2' ' HE2' ' A' ' 45' ' ' PHE . 65.1 t80 -121.28 118.63 30.03 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.026 -0.534 . . . . 74.239999999999995 110.197 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -122.95 131.14 53.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.966 -0.561 . . . . 53.539999999999999 110.478 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 34' ' ' ARG . 7.9 mmt85 -137.59 154.59 49.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.299 -0.41 . . . . 73.319999999999993 111.619 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -107.27 135.05 49.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.165 -0.471 . . . . 74.450000000000003 110.011 176.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -132.68 168.25 18.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.313 -0.403 . . . . 72.120000000000005 110.498 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.89 -56.82 7.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.072 0.463 . . . . 63.399999999999999 111.031 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.538 ' OG1' ' HG2' ' A' ' 41' ' ' GLU . 79.6 p -124.3 166.43 15.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.044 -0.525 . . . . 73.120000000000005 110.434 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.725 ' HG3' HG23 ' A' ' 69' ' ' ILE . 26.5 ttt85 -64.32 -29.41 70.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.118 0.485 . . . . 73.310000000000002 109.913 177.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -58.74 -47.45 84.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.341 -0.845 . . . . 74.420000000000002 110.546 175.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.538 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 42.2 mm-40 -60.03 -29.31 68.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.041 -0.981 . . . . 73.140000000000001 110.948 178.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.95 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.851 -0.613 . . . . 74.439999999999998 110.767 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -63.57 -34.58 78.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 72.409999999999997 110.2 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.1 t -59.77 -38.81 82.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.498 -0.773 . . . . 74.450000000000003 110.499 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.462 ' HE2' ' HE2' ' A' ' 32' ' ' PHE . 5.9 t80 -80.04 -28.97 39.22 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.954 0.407 . . . . 74.129999999999995 110.14 -176.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.466 ' HE2' ' HB3' ' A' ' 80' ' ' ALA . 42.6 tpp -68.19 -30.45 69.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 71.25 110.191 176.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -62.71 -47.54 83.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 73.430000000000007 110.723 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.0 ptmt -73.36 -28.16 61.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.521 -0.309 . . . . 75.519999999999996 111.06 178.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -39.11 88.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.75 0.309 . . . . 74.239999999999995 110.188 176.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -60.16 -40.98 91.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 70.0 110.996 174.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -64.72 -44.49 90.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 73.430000000000007 110.384 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 96.8 mt -61.49 -42.51 98.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 73.030000000000001 110.686 178.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.26 96.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 74.329999999999998 111.034 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.57 98.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 72.5 111.12 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.67 77.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.516 . . . . 70.319999999999993 111.154 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.16 -51.97 18.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.002 -0.544 . . . . 53.200000000000003 111.466 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.8 p -63.83 131.49 47.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.703 0.764 . . . . 72.150000000000006 111.326 -175.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.0 m -121.81 -9.7 8.79 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.171 -0.922 . . . . 70.430000000000007 109.205 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.536 ' CB ' ' HB2' ' A' ' 85' ' ' SER . . . -64.84 -59.97 3.61 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.903 -1.044 . . . . 72.329999999999998 112.301 -177.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -137.4 -87.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.483 -0.487 . . . . 74.120000000000005 112.158 -175.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -127.96 -23.16 3.39 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.564 0.697 . . . . 74.420000000000002 109.352 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 179.03 -139.93 4.18 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.174 -0.921 . . . . 62.450000000000003 112.146 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -145.13 160.52 41.3 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.373 -0.232 . . . . 75.150000000000006 110.373 -176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.572 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 49.0 m -69.94 108.78 4.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.254 -0.43 . . . . 61.5 110.016 176.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.485 HG21 ' HD1' ' A' ' 67' ' ' TYR . 3.9 p -100.8 115.95 43.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.542 0.687 . . . . 74.430000000000007 111.299 -177.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.05 105.93 11.92 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.478 -0.783 . . . . 52.43 109.146 173.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.485 ' HD1' HG21 ' A' ' 65' ' ' VAL . 42.3 p90 -132.19 159.26 39.5 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.328 -0.397 . . . . 72.430000000000007 111.067 -174.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.431 ' CD ' ' HB3' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -134.86 148.58 50.16 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.156 0.503 . . . . 73.140000000000001 109.798 170.425 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.725 HG23 ' HG3' ' A' ' 39' ' ' ARG . 45.4 mt -112.09 104.75 17.55 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 108.165 -1.05 . . . . 64.239999999999995 108.165 173.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -92.5 120.2 32.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.255 0.55 . . . . 73.319999999999993 110.781 -175.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.548 ' HA ' HG12 ' A' ' 76' ' ' VAL . 12.5 m-20 -77.82 94.25 4.48 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.833 -1.076 . . . . 72.319999999999993 108.622 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 95.9 mt -88.3 -167.41 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.232 0.539 . . . . 73.420000000000002 111.007 -174.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -93.89 97.02 10.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.695 -0.684 . . . . 75.129999999999995 110.725 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.58 -6.28 77.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.979 -0.629 . . . . 50.32 112.409 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.433 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 9.7 pt20 -160.71 -178.36 6.81 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.104 -0.702 . . . . 73.400000000000006 109.104 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 71' ' ' ASP . 35.7 m -133.49 157.18 42.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.636 0.255 . . . . 74.349999999999994 110.755 176.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -112.58 119.98 40.0 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.171 -0.468 . . . . 73.329999999999998 109.948 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.55 HD21 HG12 ' A' ' 69' ' ' ILE . 3.4 tm? -98.56 111.94 24.14 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.192 -1.04 . . . . 71.209999999999994 108.192 175.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.431 ' HB3' ' CD ' ' A' ' 68' ' ' LYS . 21.5 t70 -125.78 114.52 18.71 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.331 -0.395 . . . . 70.010000000000005 110.338 -176.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.466 ' HB3' ' HE2' ' A' ' 46' ' ' MET . . . -123.58 127.02 47.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.171 -0.468 . . . . 65.540000000000006 111.538 -176.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' SER . . . -109.3 110.99 22.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.897 -0.592 . . . . 72.310000000000002 110.21 174.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -101.1 112.89 25.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.159 -0.473 . . . . 73.450000000000003 110.864 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.572 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 72.1 m -92.49 104.75 17.03 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.917 -0.401 . . . . 74.030000000000001 109.917 174.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -78.8 172.25 14.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.98 -0.554 . . . . 74.409999999999997 110.95 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.536 ' HB2' ' CB ' ' A' ' 59' ' ' ALA . 16.9 m -102.34 -19.41 15.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.131 0.491 . . . . 64.450000000000003 110.029 -176.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.606 ' HB3' ' HG2' ' A' ' 89' ' ' GLU . 42.7 t -123.43 151.58 42.51 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.652 -0.704 . . . . 52.149999999999999 109.19 173.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.643 ' O ' HG12 ' A' ' 91' ' ' ILE . 27.3 tt0 -74.36 -32.84 62.92 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.621 -0.431 . . . . 74.310000000000002 110.517 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.51 -48.3 81.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.286 -0.415 . . . . 64.430000000000007 111.178 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.606 ' HG2' ' HB3' ' A' ' 86' ' ' CYS . 15.0 pt-20 -64.93 -27.3 68.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 64.120000000000005 111.223 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.632 ' HE3' ' HA ' ' A' ' 28' ' ' CYS . 14.3 tmm? -75.64 -48.38 22.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.282 -0.417 . . . . 72.319999999999993 111.015 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.643 HG12 ' O ' ' A' ' 87' ' ' GLN . 7.2 pt -69.22 -34.52 63.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 112.086 0.402 . . . . 54.310000000000002 112.086 -176.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 pp -71.29 -29.91 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.708 -0.397 . . . . 65.019999999999996 110.214 176.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.684 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 72.6 t80 -64.52 -43.18 94.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.542 . . . . 72.409999999999997 109.597 175.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.408 ' O ' ' HD3' ' A' ' 98' ' ' ARG . 56.2 mm-40 -54.97 -44.59 74.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.466 -0.788 . . . . 72.329999999999998 110.885 177.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' A' ' 21' ' ' THR . 67.9 mt -70.42 -47.74 59.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.196 -0.456 . . . . 73.109999999999999 111.103 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.5 m -54.4 -39.35 67.19 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.264 -0.426 . . . . 64.319999999999993 111.483 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.684 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 85.6 mt -57.57 -51.58 68.88 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.065 0.459 . . . . 73.040000000000006 111.546 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.497 ' O ' ' HB3' ' A' ' 102' ' ' LEU . 5.9 mpt_? -77.24 -30.94 54.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.919 -0.582 . . . . 73.209999999999994 111.383 -172.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.2 m -83.18 -0.36 48.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.338 -0.392 . . . . 65.439999999999998 111.354 -177.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.1 tp -115.6 -59.5 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.866 0.365 . . . . 74.239999999999995 111.264 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -96.93 26.22 4.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.148 -0.478 . . . . 65.5 111.374 -173.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.579 HD12 ' N ' ' A' ' 103' ' ' GLU . 2.6 pp -56.12 -40.38 73.66 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 112.092 0.404 . . . . 74.329999999999998 112.092 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.579 ' N ' HD12 ' A' ' 102' ' ' LEU . 0.0 OUTLIER 59.18 -174.47 0.1 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.364 0.415 . . . . 52.229999999999997 110.86 179.056 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 53.0 m80 72.09 -71.83 0.13 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.032 0.533 . . . . 73.010000000000005 111.006 174.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 179.0 -22.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.735 -0.666 . . . . 75.310000000000002 109.217 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -169.85 173.33 6.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.416 -0.811 . . . . 74.030000000000001 109.323 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.435 ' HB3' ' CB ' ' A' ' 102' ' ' LEU . 6.9 p80 -114.72 134.22 55.27 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.769 -0.372 . . . . 74.120000000000005 110.125 177.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -81.37 -40.74 23.03 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.707 -0.849 . . . . 71.329999999999998 108.707 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 . . . . . 0 C--O 1.243 0.75 0 CA-C-N 114.975 -1.012 . . . . 72.150000000000006 108.736 171.893 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.835 0.35 . . . . 71.549999999999997 110.252 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.01 108.45 3.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.029 0.442 . . . . 74.109999999999999 110.557 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.56 130.61 49.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.169 0.509 . . . . 63.420000000000002 110.454 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -108.59 97.55 7.19 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.96 -0.564 . . . . 73.109999999999999 109.679 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -117.01 157.48 25.74 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.716 -0.675 . . . . 73.25 110.647 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.7 p -161.51 113.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.374 0.607 . . . . 74.530000000000001 110.203 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.1 t -105.91 94.67 3.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.975 -0.557 . . . . 71.310000000000002 111.187 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -125.49 103.04 7.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 74.099999999999994 109.625 175.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -161.42 139.27 9.18 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.356 -0.384 . . . . 73.030000000000001 110.139 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.0 t -157.95 159.6 36.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.222 -0.445 . . . . 71.040000000000006 109.963 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.1 t -151.77 143.9 23.93 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.992 -0.744 . . . . 51.119999999999997 108.992 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 t -159.36 87.9 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.719 0.771 . . . . 65.530000000000001 111.614 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -152.34 128.4 10.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.176 -0.92 . . . . 74.219999999999999 110.118 173.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.12 53.11 0.1 OUTLIER Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.9 -0.667 . . . . 53.210000000000001 112.049 -177.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -88.31 37.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.99 0.424 . . . . 70.310000000000002 110.425 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.79 136.65 57.97 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.881 -0.6 . . . . 75.019999999999996 110.81 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 pp -105.93 160.18 5.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.932 -0.577 . . . . 75.329999999999998 111.834 -177.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -153.78 143.78 22.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.407 -0.815 . . . . 65.040000000000006 109.644 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.931 ' HB ' HD23 ' A' ' 95' ' ' LEU . 46.1 mm -75.19 -28.16 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.303 0.573 . . . . 75.450000000000003 109.837 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.52 65.85 0.97 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.753 -0.736 . . . . 44.240000000000002 112.237 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.697 ' HB ' HD21 ' A' ' 95' ' ' LEU . 37.5 m -151.56 85.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.681 0.753 . . . . 75.230000000000004 110.888 176.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 t -136.94 95.95 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 114.792 -1.095 . . . . 74.510000000000005 108.149 174.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.543 HD11 ' H ' ' A' ' 23' ' ' ILE . 4.1 mp -67.76 -68.86 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.227 -0.442 . . . . 73.319999999999993 110.862 -172.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -164.21 -86.23 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.876 -0.787 . . . . 73.329999999999998 108.876 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -129.19 118.91 23.16 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.618 -1.252 . . . . 75.099999999999994 107.618 169.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.421 ' OD2' ' HB ' ' A' ' 23' ' ' ILE . 14.6 m-20 -130.88 32.13 4.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.15 -0.477 . . . . 45.450000000000003 111.042 -169.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 70.43 174.91 0.29 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.666 -0.697 . . . . 70.239999999999995 111.267 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.9 p -107.55 -6.06 17.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.769 -0.65 . . . . 72.510000000000005 109.84 175.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.466 ' HG1' HG21 ' A' ' 83' ' ' THR . 12.2 m -92.48 117.34 29.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.627 -0.715 . . . . 74.439999999999998 110.175 178.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.674 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 23.2 t -98.27 116.2 30.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.543 -0.54 . . . . 71.400000000000006 109.543 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.683 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -104.72 160.35 15.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.055 -0.52 . . . . 71.150000000000006 110.2 -178.86 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -154.26 118.87 4.89 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.63 -0.714 . . . . 75.340000000000003 110.202 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.655 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 3.9 p -134.97 106.94 7.06 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.296 0.57 . . . . 63.020000000000003 110.629 175.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -127.2 143.98 51.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.564 -0.744 . . . . 74.329999999999998 110.039 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.459 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 98.3 m-85 -87.38 133.87 33.66 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.054 -0.521 . . . . 73.430000000000007 109.726 175.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.702 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 96.6 m-85 -117.7 161.65 19.33 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.877 -0.601 . . . . 74.329999999999998 110.085 -179.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.71 -43.18 98.13 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.362 0.413 . . . . 52.32 111.089 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.39 166.54 24.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.515 -0.55 . . . . 74.530000000000001 109.515 178.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.73 ' HA ' HG22 ' A' ' 76' ' ' VAL . 19.0 ttt180 -61.43 -29.34 69.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.676 0.274 . . . . 55.439999999999998 110.76 -179.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.62 -50.51 65.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.403 0.62 . . . . 64.409999999999997 110.528 174.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.702 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 42.4 mm-40 -57.37 -33.03 67.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.792 -1.095 . . . . 74.420000000000002 110.575 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.09 -52.16 10.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.731 -0.668 . . . . 72.340000000000003 111.315 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.667 ' HG2' HD12 ' A' ' 69' ' ' ILE . 43.5 mt-10 -63.26 -36.12 82.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 71.430000000000007 111.096 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 t -66.48 -32.22 73.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.162 -0.472 . . . . 72.219999999999999 110.305 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.522 ' O ' HD23 ' A' ' 49' ' ' LEU . 4.0 t80 -76.18 -30.09 57.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.756 -0.461 . . . . 72.400000000000006 109.756 -177.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.442 ' HE3' HD12 ' A' ' 78' ' ' LEU . 31.1 tpp -62.8 -37.04 85.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.081 0.467 . . . . 71.25 110.699 177.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.538 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 27.3 m -60.17 -49.11 78.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.89 -0.595 . . . . 64.200000000000003 111.213 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -71.13 -27.17 63.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.893 0.378 . . . . 74.019999999999996 111.089 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -62.67 -37.57 86.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 74.109999999999999 110.432 173.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.538 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 46.2 mttt -63.9 -40.81 97.38 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.728 -0.214 . . . . 65.400000000000006 110.686 175.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -57.57 -51.26 70.2 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.511 0.672 . . . . 71.340000000000003 109.854 175.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.73 -44.95 94.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.153 -0.93 . . . . 63.140000000000001 111.477 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.11 83.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.456 -0.338 . . . . 55.219999999999999 111.457 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.84 -35.7 80.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.25 111.517 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.9 -28.41 25.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.526 -0.306 . . . . 71.519999999999996 111.667 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.44 -26.26 32.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.956 0.354 . . . . 75.430000000000007 111.956 -176.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.1 p -89.83 133.69 34.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.465 0.65 . . . . 71.239999999999995 111.757 -174.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.6 m -83.45 6.23 20.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.284 -0.871 . . . . 74.439999999999998 110.697 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.81 2.01 40.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.808 -0.633 . . . . 73.400000000000006 110.888 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.2 t70 73.66 -64.1 0.41 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.901 0.751 . . . . 73.140000000000001 112.063 175.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.29 -32.57 68.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.907 0.384 . . . . 62.509999999999998 110.985 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.59 -132.16 4.81 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.648 -0.787 . . . . 75.450000000000003 111.864 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.9 168.57 24.1 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.049 -0.352 . . . . 61.109999999999999 110.049 -178.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.468 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 15.3 m -71.57 109.98 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.927 -0.397 . . . . 65.349999999999994 109.927 177.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 p -104.84 119.37 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.533 0.682 . . . . 70.049999999999997 111.487 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.82 130.2 50.93 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.114 -0.948 . . . . 42.149999999999999 108.456 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -146.44 154.47 41.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.375 0.607 . . . . 71.319999999999993 112.049 -173.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' A' ' 68' ' ' LYS . 45.4 mtmt -124.29 142.3 51.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.908 -1.042 . . . . 75.010000000000005 110.043 175.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.667 HD12 ' HG2' ' A' ' 43' ' ' GLU . 45.6 mt -119.15 104.27 15.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 N-CA-C 108.039 -1.097 . . . . 64.5 108.039 174.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.719 ' HB3' ' HG2' ' A' ' 77' ' ' GLU . 40.8 tttm -115.29 110.11 18.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.881 0.848 . . . . 74.420000000000002 111.177 -168.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.791 ' HA ' HG13 ' A' ' 76' ' ' VAL . 4.3 m-20 -75.88 131.63 39.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 113.838 -1.528 . . . . 74.340000000000003 110.961 -175.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.43 HD22 ' HZ2' ' A' ' 70' ' ' LYS . 78.4 mt -123.06 -170.6 2.14 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.088 -0.708 . . . . 54.509999999999998 109.088 173.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -95.82 101.3 12.97 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.873 -0.331 . . . . 70.439999999999998 110.47 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.94 0.09 68.92 Favored Glycine 0 C--O 1.235 0.187 0 C-N-CA 121.112 -0.566 . . . . 61.439999999999998 112.086 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -162.51 169.71 19.86 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.238 -0.653 . . . . 72.420000000000002 109.238 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.791 HG13 ' HA ' ' A' ' 71' ' ' ASP . 28.6 m -144.71 153.39 14.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 109.419 -0.585 . . . . 74.319999999999993 109.419 176.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.719 ' HG2' ' HB3' ' A' ' 70' ' ' LYS . 12.5 pt-20 -108.0 128.4 54.62 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.598 0.713 . . . . 72.430000000000007 110.302 174.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.655 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.1 tm? -102.98 111.13 23.32 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 108.049 -1.093 . . . . 74.450000000000003 108.049 174.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -118.29 108.81 15.56 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.018 -0.537 . . . . 71.409999999999997 110.13 -173.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.77 155.76 37.33 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.978 0.418 . . . . 72.040000000000006 111.384 -177.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -139.88 114.17 9.1 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.466 -0.788 . . . . 70.5 109.546 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -105.6 112.55 25.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.116 -0.493 . . . . 75.019999999999996 110.35 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.468 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 5.4 m -88.22 107.2 18.67 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.729 0.3 . . . . 71.230000000000004 110.268 179.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.418 ' HE2' ' HB3' ' A' ' 30' ' ' SER . 98.5 m-85 -91.97 165.73 13.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 71.420000000000002 110.582 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.9 m -79.55 -29.22 41.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.264 -0.426 . . . . 65.129999999999995 111.276 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.1 m -124.34 164.74 19.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.275 -0.42 . . . . 71.120000000000005 110.24 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -80.52 -32.47 36.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.525 -0.307 . . . . 74.519999999999996 111.132 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.512 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.86 -38.18 69.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 110.92 178.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -34.07 75.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.885 -0.598 . . . . 75.150000000000006 110.386 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.674 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 11.5 tmm? -70.21 -50.76 36.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 74.109999999999999 110.262 -177.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.605 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.6 pt -67.19 -41.23 86.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.317 -0.401 . . . . 72.409999999999997 111.844 -177.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 88' ' ' ALA . 40.9 pt -66.63 -30.39 49.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 120.77 -0.372 . . . . 74.099999999999994 110.573 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.677 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 19.5 t80 -63.43 -48.45 77.71 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.387 -0.597 . . . . 74.400000000000006 109.387 176.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.461 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 58.0 mm-40 -55.47 -38.42 69.07 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.574 -0.739 . . . . 60.329999999999998 111.053 175.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.931 HD23 ' HB ' ' A' ' 19' ' ' ILE . 78.5 mt -66.16 -53.73 33.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.882 -0.599 . . . . 73.310000000000002 110.602 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.6 p -59.19 -37.53 77.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 72.219999999999999 112.21 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 80.8 mt -60.09 -49.09 79.0 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.121 0.486 . . . . 74.329999999999998 110.514 178.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.461 ' NH1' ' HB3' ' A' ' 94' ' ' GLU . 76.4 mtt85 -69.1 -33.36 73.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.477 -0.783 . . . . 73.319999999999993 111.22 -178.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.46 ' O ' HD21 ' A' ' 102' ' ' LEU . 22.9 m -77.36 -34.85 54.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.933 -0.576 . . . . 74.439999999999998 111.718 -175.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 34.1 tp -79.0 -41.88 27.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.917 0.389 . . . . 74.540000000000006 110.974 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.47 33.19 1.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.124 -0.489 . . . . 72.530000000000001 110.475 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.46 HD21 ' O ' ' A' ' 99' ' ' SER . 4.6 pp -59.91 -19.52 52.07 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.657 -0.701 . . . . 72.400000000000006 112.772 -175.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.05 39.25 0.37 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.491 0.552 . . . . 74.349999999999994 112.491 -174.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -117.87 132.62 56.4 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.406 -0.59 . . . . 74.450000000000003 109.406 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -79.54 141.56 36.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.008 0.433 . . . . 74.310000000000002 110.792 -176.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -77.36 -9.51 58.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.986 -0.552 . . . . 73.120000000000005 110.876 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -86.78 7.94 24.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.361 0.601 . . . . 74.439999999999998 110.156 174.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -131.02 148.57 52.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.46 -0.791 . . . . 74.299999999999997 109.249 177.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.186 -0.911 . . . . 74.019999999999996 110.075 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 120.815 0.34 . . . . 70.400000000000006 110.316 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.72 -46.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.71 -0.677 . . . . 75.230000000000004 109.602 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -78.51 115.94 18.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.377 -0.829 . . . . 64.109999999999999 109.981 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -150.93 95.09 2.15 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.658 -0.497 . . . . 73.120000000000005 109.658 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -138.73 122.3 17.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.145 -0.48 . . . . 73.319999999999993 110.204 -174.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.7 m -107.33 74.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.825 0.821 . . . . 73.129999999999995 110.613 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 p -97.98 121.85 48.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.49 -0.777 . . . . 63.140000000000001 110.897 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -101.98 154.76 18.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.111 -0.495 . . . . 52.32 109.887 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.482 ' HD2' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -152.01 120.2 6.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.12 -0.491 . . . . 72.420000000000002 111.192 -175.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.7 p -169.62 32.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.976 -0.556 . . . . 61.520000000000003 111.165 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.4 m -80.14 86.03 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.365 -0.38 . . . . 73.140000000000001 110.408 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.6 m -152.33 100.74 2.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.292 -0.413 . . . . 74.129999999999995 110.942 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -164.99 133.29 3.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 72.25 110.181 176.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.3 116.94 2.58 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.652 -0.785 . . . . 62.509999999999998 112.573 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -146.99 76.85 1.44 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.448 -0.575 . . . . 65.329999999999998 109.448 175.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -134.89 94.95 3.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.921 -0.581 . . . . 42.149999999999999 110.515 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.5 pt -134.11 166.92 27.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.824 -0.626 . . . . 73.519999999999996 110.226 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -100.75 152.28 20.67 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.254 -0.647 . . . . 72.519999999999996 109.254 174.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.0 pt -87.55 92.14 3.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-O 121.595 0.712 . . . . 70.319999999999993 110.442 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -118.96 37.78 3.08 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.203 -0.908 . . . . 70.400000000000006 112.127 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.8 m -74.64 90.86 2.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.224 0.535 . . . . 75.510000000000005 109.905 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.9 m -84.67 169.67 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.471 -0.786 . . . . 63.340000000000003 110.977 -177.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.2 mm -115.6 -85.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.626 -0.509 . . . . 73.299999999999997 109.626 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -149.59 -93.96 0.07 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.888 0.375 . . . . 63.119999999999997 110.284 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 175.31 144.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.401 -0.818 . . . . 61.140000000000001 109.02 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -173.19 -78.32 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.123 0.487 . . . . 73.450000000000003 110.308 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -131.85 169.07 16.77 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.61 -0.723 . . . . 74.120000000000005 109.621 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 m -112.55 13.91 20.11 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.202 0.525 . . . . 73.140000000000001 110.554 -175.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 83' ' ' THR . 41.6 m -95.1 128.81 42.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.728 -0.669 . . . . 74.5 110.408 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.664 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 9.2 t -97.61 104.3 16.32 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.277 -0.638 . . . . 73.030000000000001 109.277 177.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -97.69 119.93 37.15 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.582 -0.735 . . . . 72.25 110.543 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -126.83 119.51 27.0 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.123 -0.49 . . . . 74.109999999999999 109.819 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 t -126.19 113.57 17.19 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.857 -0.611 . . . . 61.100000000000001 109.771 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -138.69 150.67 46.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.414 -0.357 . . . . 65.129999999999995 110.138 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -105.14 129.59 53.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.771 0.32 . . . . 74.349999999999994 110.599 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -120.16 171.12 8.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.889 -0.596 . . . . 71.349999999999994 110.677 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.39 -54.77 23.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.395 . . . . 65.230000000000004 111.426 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.523 ' OG1' ' HG2' ' A' ' 41' ' ' GLU . 62.5 p -128.3 165.94 19.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.987 0.422 . . . . 74.109999999999999 111.264 -178.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.539 ' HG3' HG23 ' A' ' 69' ' ' ILE . 28.1 ttt-85 -63.03 -28.09 69.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.564 -0.744 . . . . 73.299999999999997 109.716 178.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.67 -50.15 73.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.197 -0.911 . . . . 71.510000000000005 110.337 175.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.523 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 14.1 mm-40 -59.93 -28.52 67.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.108 -0.951 . . . . 64.409999999999997 110.999 -178.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.419 ' HB3' HD22 ' A' ' 78' ' ' LEU . . . -71.67 -52.05 19.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.643 -0.708 . . . . 44.409999999999997 111.179 -177.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.02 -33.12 73.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.868 0.366 . . . . 73.200000000000003 110.693 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.9 m -67.56 -27.77 67.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 74.310000000000002 111.034 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.537 ' O ' HD23 ' A' ' 49' ' ' LEU . 88.7 t80 -69.92 -35.69 74.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.129 0.49 . . . . 65.150000000000006 110.172 178.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.498 ' HE3' ' HB2' ' A' ' 67' ' ' TYR . 38.1 ttm -72.35 -18.9 61.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.003 -0.544 . . . . 73.120000000000005 111.245 -177.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 m -56.67 -49.16 75.9 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 120.913 0.387 . . . . 72.420000000000002 111.109 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -73.51 -29.75 62.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.092 0.472 . . . . 71.299999999999997 110.82 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.0 mm? -66.51 -40.79 89.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.922 -0.581 . . . . 71.040000000000006 110.591 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -38.63 84.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 62.299999999999997 111.314 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.59 -45.73 91.55 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.44 0.638 . . . . 72.450000000000003 110.069 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -68.79 -42.0 77.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.146 -0.933 . . . . 74.120000000000005 111.268 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.67 75.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.384 -0.371 . . . . 72.420000000000002 111.635 -178.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.23 -36.15 81.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 64.319999999999993 111.147 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.67 -33.55 21.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.949 0.404 . . . . 73.109999999999999 111.163 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.36 -27.43 67.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.823 -0.626 . . . . 52.140000000000001 112.122 -176.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.584 ' HB3' ' CD1' ' A' ' 84' ' ' PHE . 48.7 p -115.74 139.81 49.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.751 0.31 . . . . 72.510000000000005 110.914 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.9 m -92.14 64.14 4.48 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.211 0.529 . . . . 71.140000000000001 109.819 174.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.74 -23.92 4.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.746 -0.661 . . . . 71.030000000000001 110.934 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 74.26 -62.71 0.45 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.583 0.753 . . . . 70.010000000000005 111.572 177.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -94.51 19.67 9.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.994 -0.548 . . . . 72.25 111.839 -172.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.66 150.14 13.17 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.769 -0.729 . . . . 74.430000000000007 113.407 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.99 179.1 5.34 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.954 -0.387 . . . . 40.130000000000003 109.954 176.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 1.123 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 38.9 m -74.11 87.11 1.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.898 0.38 . . . . 65.540000000000006 110.198 177.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 p -100.57 115.73 42.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.602 0.715 . . . . 73.340000000000003 111.255 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.72 100.79 9.23 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.323 -0.853 . . . . 61.109999999999999 108.929 173.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.498 ' HB2' ' HE3' ' A' ' 46' ' ' MET . 12.1 p90 -125.12 153.16 43.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.829 0.347 . . . . 75.519999999999996 110.648 -174.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.97 153.9 26.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.825 -0.625 . . . . 72.109999999999999 110.299 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.539 HG23 ' HG3' ' A' ' 39' ' ' ARG . 54.0 mt -114.0 121.76 66.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.465 -0.789 . . . . 75.129999999999995 109.368 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.834 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 17.6 tppt? -92.19 110.67 22.06 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.467 0.651 . . . . 75.230000000000004 110.253 177.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.412 ' HA ' HG13 ' A' ' 76' ' ' VAL . 2.6 m-20 -76.06 113.89 14.08 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.62 -1.173 . . . . 72.200000000000003 110.235 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 mt -120.96 179.27 4.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.82 0.343 . . . . 70.409999999999997 110.387 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.17 104.92 11.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.034 -0.53 . . . . 75.120000000000005 111.152 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.43 -12.59 68.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.035 -0.602 . . . . 75.030000000000001 112.932 174.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -153.17 171.13 18.94 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.718 -0.475 . . . . 72.019999999999996 109.718 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.412 HG13 ' HA ' ' A' ' 71' ' ' ASP . 27.1 m -138.14 153.56 27.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.378 -0.374 . . . . 73.519999999999996 110.6 175.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.834 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 40.7 tt0 -102.76 114.18 28.22 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.893 -0.594 . . . . 73.109999999999999 109.709 175.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.492 HD22 HG12 ' A' ' 69' ' ' ILE . 3.2 tm? -93.63 109.37 21.01 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.085 -1.08 . . . . 64.310000000000002 108.085 174.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -123.83 112.95 17.89 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.836 -0.62 . . . . 64.319999999999993 109.463 -173.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.12 140.04 47.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.962 0.41 . . . . 71.219999999999999 111.794 -174.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.05 107.95 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.542 -0.754 . . . . 74.129999999999995 110.563 175.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -96.75 112.71 24.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.536 -0.542 . . . . 75.219999999999999 109.536 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 1.123 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 9.5 m -97.41 113.44 25.11 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.892 0.377 . . . . 51.149999999999999 110.093 -175.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 57' ' ' SER . 86.9 m-85 -98.33 170.51 8.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.825 -0.625 . . . . 74.25 110.286 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.9 m -67.78 -41.67 82.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.33 -0.396 . . . . 70.319999999999993 110.879 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 38.3 m -130.37 155.15 46.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.284 -0.416 . . . . 73.230000000000004 110.053 -178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.547 ' O ' HG12 ' A' ' 91' ' ' ILE . 33.1 tt0 -64.49 -27.98 69.35 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.077 -0.249 . . . . 63.039999999999999 110.549 178.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.84 -48.3 64.02 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.344 0.402 . . . . 73.400000000000006 110.54 176.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.05 -30.21 71.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.405 0.621 . . . . 74.409999999999997 110.146 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.664 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 13.4 tmm? -74.89 -48.71 23.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.489 -0.778 . . . . 65.420000000000002 110.621 -176.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 87' ' ' GLN . 13.2 pt -69.04 -42.8 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.45 -0.341 . . . . 71.540000000000006 111.505 -178.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' A' ' 95' ' ' LEU . 2.6 pp -62.3 -29.51 46.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-O 120.997 0.427 . . . . 74.219999999999999 110.369 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.51 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 57.0 t80 -62.26 -51.09 69.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.741 -0.663 . . . . 74.150000000000006 110.772 177.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.58 -28.43 56.2 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.955 -0.298 . . . . 75.530000000000001 110.589 -177.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 92' ' ' ILE . 75.7 mt -59.55 -45.99 90.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.975 0.416 . . . . 73.010000000000005 110.128 172.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.0 m -59.27 -39.42 82.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.894 -0.594 . . . . 71.129999999999995 110.479 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.3 mt -61.57 -48.43 80.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 73.420000000000002 110.395 177.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -64.66 -37.98 89.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.692 . . . . 64.209999999999994 111.649 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.4 m -78.95 -25.59 43.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.181 -0.463 . . . . 70.310000000000002 111.674 -176.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.4 tp -93.13 -53.22 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.658 0.266 . . . . 73.310000000000002 110.916 -178.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.93 45.96 0.86 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.172 0.51 . . . . 72.310000000000002 110.226 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 43.8 mt -60.06 -67.06 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.514 -0.766 . . . . 74.219999999999999 110.813 176.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 58.62 -78.42 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.885 0.74 . . . . 64.540000000000006 110.98 -175.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -154.79 56.81 0.68 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.457 0.646 . . . . 74.239999999999995 110.655 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -107.63 96.36 6.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.204 0.526 . . . . 72.209999999999994 110.559 178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -116.01 -9.26 11.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.415 -0.812 . . . . 73.409999999999997 110.36 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -77.14 -7.16 55.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.977 -0.556 . . . . 73.430000000000007 112.216 -177.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 -140.25 140.83 35.86 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.973 -0.38 . . . . 75.140000000000001 109.973 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 . . . . . 0 C--O 1.249 1.04 0 N-CA-C 109.053 -0.721 . . . . 75.5 109.053 173.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.206 -0.294 . . . . 72.349999999999994 110.206 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.53 101.27 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.937 0.399 . . . . 63.329999999999998 110.864 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -101.26 -64.33 1.06 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.888 -0.596 . . . . 71.439999999999998 109.955 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.1 tttm 63.88 101.32 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.542 0.687 . . . . 71.239999999999995 111.555 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -108.99 156.93 19.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.731 -0.668 . . . . 75.340000000000003 110.794 -177.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.5 p -135.28 145.53 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.477 -0.329 . . . . 74.129999999999995 110.2 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.6 t -111.91 116.45 52.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.685 0.279 . . . . 71.099999999999994 110.958 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -151.75 110.31 3.8 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.453 -0.339 . . . . 73.120000000000005 110.091 174.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -91.89 -61.73 1.57 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.822 -0.436 . . . . 73.319999999999993 109.822 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.2 t -166.64 133.01 2.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 72.25 110.108 177.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.0 t -91.62 103.93 16.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.09 0.471 . . . . 55.350000000000001 110.267 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t -106.81 114.48 28.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 65.219999999999999 110.146 177.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HE3' ' HB2' ' A' ' 13' ' ' LYS . 36.5 ttmt -160.32 156.37 26.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.189 -0.459 . . . . 64.319999999999993 110.128 -176.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.74 7.84 11.48 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.718 -0.753 . . . . 72.430000000000007 112.141 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 t -102.01 38.89 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.325 0.583 . . . . 70.200000000000003 109.881 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.05 143.52 20.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.774 -0.648 . . . . 73.409999999999997 110.782 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.0 tt -82.94 121.41 35.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.077 -0.712 . . . . 72.400000000000006 109.077 174.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -143.1 166.97 23.22 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.168 -0.469 . . . . 65.329999999999998 110.222 -173.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.665 HG13 ' HB3' ' A' ' 95' ' ' LEU . 42.3 mm -95.03 -24.04 4.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.155 0.503 . . . . 54.310000000000002 109.955 179.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.96 -21.1 46.29 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.011 -0.614 . . . . 75.109999999999999 111.795 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.4 t -134.91 142.92 46.67 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.829 -0.434 . . . . 75.340000000000003 109.829 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.7 t -130.49 135.99 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.182 -0.463 . . . . 75.140000000000001 109.872 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.9 tt -61.6 145.81 12.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.471 -0.331 . . . . 72.209999999999994 110.195 176.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -52.49 -69.84 0.1 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.177 -0.465 . . . . 73.109999999999999 111.889 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -168.98 169.31 9.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.449 -0.341 . . . . 52.409999999999997 110.368 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -174.7 -160.37 0.09 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.513 -1.292 . . . . 73.239999999999995 107.513 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.405 ' C ' HD21 ' A' ' 27' ' ' ASN . 0.3 OUTLIER -88.95 -171.89 3.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.681 0.277 . . . . 51.520000000000003 110.803 179.135 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 62.8 m -92.2 -20.95 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.698 0.285 . . . . 63.530000000000001 111.454 -174.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 39.0 m -85.61 127.41 34.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.98 0.419 . . . . 73.409999999999997 110.482 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.743 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 15.2 t -97.22 105.54 17.71 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.509 -0.552 . . . . 73.530000000000001 109.509 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.621 ' HA ' ' O ' ' A' ' 80' ' ' ALA . 48.6 mtmt -109.9 149.1 30.38 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.381 0.61 . . . . 74.349999999999994 111.302 176.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -152.39 124.3 7.98 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.972 -1.013 . . . . 65.239999999999995 109.627 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 13.4 m -124.59 108.89 12.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.479 -0.328 . . . . 52.109999999999999 110.229 -178.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.6 ttt85 -127.51 145.41 50.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.894 0.378 . . . . 75.310000000000002 111.415 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -82.52 133.4 35.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.558 -0.747 . . . . 74.540000000000006 109.826 176.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.432 ' HE2' ' HB3' ' A' ' 78' ' ' LEU . 84.6 m-85 -120.21 157.64 28.67 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.154 -0.475 . . . . 75.209999999999994 110.106 176.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.74 -49.46 68.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.131 -0.486 . . . . 75.239999999999995 111.08 -178.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 42.0 p -124.2 160.15 28.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.15 -0.477 . . . . 73.439999999999998 110.126 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.601 ' HA ' HG23 ' A' ' 76' ' ' VAL . 17.2 ttt180 -63.81 -25.99 68.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.957 0.408 . . . . 75.340000000000003 110.127 176.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.81 -47.88 83.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.941 -0.572 . . . . 71.400000000000006 110.541 174.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -52.72 -33.09 46.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.198 -0.91 . . . . 62.219999999999999 111.295 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.463 ' HB3' HD21 ' A' ' 78' ' ' LEU . . . -75.41 -53.05 9.34 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.082 -0.508 . . . . 75.030000000000001 111.45 -176.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.95 -33.13 74.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.402 -0.363 . . . . 62.450000000000003 111.387 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -69.2 -30.05 68.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.913 0.387 . . . . 64.140000000000001 110.398 177.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.552 ' O ' HD21 ' A' ' 49' ' ' LEU . 80.9 t80 -71.02 -42.57 69.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 75.150000000000006 109.881 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.417 ' HE3' HD12 ' A' ' 78' ' ' LEU . 40.1 tpp -61.76 -24.3 66.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.782 -0.645 . . . . 74.319999999999993 111.391 -179.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.2 m -58.34 -49.85 75.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.388 -0.369 . . . . 64.329999999999998 111.246 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -71.46 -29.52 64.95 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.884 -0.326 . . . . 72.129999999999995 110.807 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.552 HD21 ' O ' ' A' ' 45' ' ' PHE . 2.9 mm? -58.29 -43.62 88.14 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.94 0.4 . . . . 71.230000000000004 110.499 178.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -60.37 -49.13 78.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.822 -0.626 . . . . 73.540000000000006 111.348 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -69.66 -36.24 75.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.068 -0.515 . . . . 72.349999999999994 111.091 -176.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.3 mt -65.34 -35.63 81.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.997 -0.547 . . . . 74.319999999999993 111.197 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.94 -37.48 86.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.148 0.499 . . . . 65.150000000000006 110.252 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.598 ' O ' ' HA ' ' A' ' 58' ' ' SER . . . -67.75 -29.81 69.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.611 -0.722 . . . . 73.540000000000006 110.991 177.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.65 -33.64 35.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.377 -0.374 . . . . 75.439999999999998 111.135 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.08 -57.07 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 55.030000000000001 111.86 -176.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.6 m -104.29 -2.28 25.82 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.112 0.412 . . . . 62.409999999999997 112.112 -175.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.598 ' HA ' ' O ' ' A' ' 54' ' ' ALA . 54.7 m 69.78 -56.4 0.57 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.829 0.706 . . . . 71.420000000000002 110.263 -174.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.575 ' HB1' ' HA2' ' A' ' 62' ' ' GLY . . . 71.92 -57.75 0.61 Allowed 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.969 0.908 . . . . 61.439999999999998 112.454 174.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.8 t70 60.68 -80.9 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.845 0.715 . . . . 73.109999999999999 110.594 -174.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -70.12 -34.46 73.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.287 -0.635 . . . . 74.129999999999995 109.287 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.575 ' HA2' ' HB1' ' A' ' 59' ' ' ALA . . . 123.75 127.84 3.26 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.54 -0.838 . . . . 74.310000000000002 113.273 173.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.24 157.79 37.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.203 -0.666 . . . . 75.219999999999999 109.203 170.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.832 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 16.4 m -58.95 107.17 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.996 0.427 . . . . 73.230000000000004 110.79 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.63 123.96 72.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.345 0.593 . . . . 71.239999999999995 111.47 -177.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.443 ' HB1' ' HB1' ' A' ' 81' ' ' ALA . . . -124.88 139.1 54.14 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.37 -0.832 . . . . 72.219999999999999 109.378 174.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -140.52 140.5 35.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.882 0.372 . . . . 73.439999999999998 110.732 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.853 ' HB2' ' HB2' ' A' ' 79' ' ' ASP . 95.9 mttt -128.63 140.65 51.66 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.837 -0.62 . . . . 73.109999999999999 110.405 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.3 mt -126.35 103.96 12.2 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 CA-C-N 115.05 -0.977 . . . . 61.439999999999998 108.493 174.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -96.29 121.06 37.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.13 0.491 . . . . 73.519999999999996 110.895 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.491 ' HA ' HG12 ' A' ' 76' ' ' VAL . 14.0 m-20 -79.12 97.2 6.07 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.025 -0.989 . . . . 55.310000000000002 109.253 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 85.2 mt -92.98 -177.02 4.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.899 0.38 . . . . 73.340000000000003 110.051 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.17 101.97 14.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.947 0.403 . . . . 75.209999999999994 110.595 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.39 -27.63 14.79 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 115.844 -0.616 . . . . 52.100000000000001 112.311 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 11.1 pt20 -138.3 -179.82 6.02 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.83 -0.433 . . . . 70.099999999999994 109.83 -178.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.601 HG23 ' HA ' ' A' ' 39' ' ' ARG . 31.5 m -138.27 157.93 31.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 110.012 -0.366 . . . . 74.25 110.012 175.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -116.87 122.95 45.83 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.909 -0.404 . . . . 75.049999999999997 109.909 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.464 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.5 tm? -96.52 120.37 36.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.323 -0.853 . . . . 73.409999999999997 109.55 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.853 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 14.5 m-20 -107.95 116.15 31.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.028 -0.533 . . . . 72.549999999999997 110.498 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.621 ' O ' ' HA ' ' A' ' 31' ' ' LYS . . . -109.89 128.37 55.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.237 -0.438 . . . . 73.150000000000006 110.021 175.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.443 ' HB1' ' HB1' ' A' ' 66' ' ' ALA . . . -133.47 103.76 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.861 0.362 . . . . 73.430000000000007 110.662 178.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -113.14 131.32 55.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.3 -0.409 . . . . 75.200000000000003 110.61 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.832 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 18.7 m -108.18 109.77 21.25 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.129 -0.323 . . . . 70.209999999999994 110.129 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -100.26 171.69 7.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 110.674 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.1 m -86.24 -44.78 11.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.232 -0.44 . . . . 72.540000000000006 110.533 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.502 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 27.8 m -112.1 145.1 40.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.133 -0.485 . . . . 73.420000000000002 110.31 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.511 ' O ' HG12 ' A' ' 91' ' ' ILE . 18.6 tt0 -68.68 -28.45 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 74.230000000000004 110.369 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.482 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -57.07 -36.36 70.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.906 -0.588 . . . . 52.329999999999998 110.622 175.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.502 ' HG3' ' HB2' ' A' ' 86' ' ' CYS . 30.2 mt-10 -73.91 -34.2 64.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.939 -0.573 . . . . 71.310000000000002 110.038 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.743 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 14.4 tmm? -67.84 -48.97 64.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.794 -0.639 . . . . 71.049999999999997 110.416 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 87' ' ' GLN . 18.8 pt -66.39 -45.1 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.405 -0.361 . . . . 71.129999999999995 111.877 -177.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 88' ' ' ALA . 40.3 pt -63.28 -30.74 50.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-O 120.981 0.42 . . . . 62.399999999999999 110.462 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.42 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 91.1 t80 -66.85 -52.03 48.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.794 -0.639 . . . . 73.310000000000002 111.124 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.414 ' HA ' ' HG ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -73.73 -28.38 61.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.685 0.278 . . . . 71.430000000000007 111.142 -175.387 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.665 ' HB3' HG13 ' A' ' 19' ' ' ILE . 74.5 mt -69.31 -40.55 77.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.774 0.321 . . . . 74.340000000000003 110.699 176.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.8 m -68.03 -23.49 64.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.538 -0.301 . . . . 63.229999999999997 111.319 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 84.7 mt -54.81 -51.86 64.5 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.829 0.347 . . . . 64.109999999999999 111.133 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -37.36 49.67 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.694 -0.402 . . . . 75.430000000000007 111.311 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.9 t -71.39 -12.46 61.43 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.992 0.367 . . . . 63.229999999999997 111.992 -174.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.0 tp -76.43 -50.28 14.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.876 0.369 . . . . 73.109999999999999 110.233 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.38 -33.9 55.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.002 -0.545 . . . . 64.409999999999997 110.081 178.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.0 mp -95.95 74.61 3.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.686 -0.688 . . . . 65.549999999999997 110.047 178.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.89 -31.81 73.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.435 -0.802 . . . . 75.540000000000006 109.822 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -84.54 101.65 12.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.542 -0.754 . . . . 75.230000000000004 108.986 173.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -67.71 145.3 54.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.086 -0.506 . . . . 64.340000000000003 111.685 -176.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -102.62 142.76 33.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.579 -0.737 . . . . 73.299999999999997 109.436 176.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -120.55 40.77 3.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.027 0.442 . . . . 74.340000000000003 110.874 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -164.7 -74.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.831 -0.622 . . . . 74.140000000000001 109.919 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 . . . . . 0 C--O 1.249 1.074 0 N-CA-C 108.977 -0.749 . . . . 73.099999999999994 108.977 177.289 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 120.844 0.354 . . . . 72.099999999999994 110.359 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.84 113.99 4.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.03 -0.532 . . . . 50.439999999999998 110.434 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 84.5 mtp -81.29 105.27 12.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.066 -0.516 . . . . 73.340000000000003 109.687 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -88.54 66.69 8.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.243 0.544 . . . . 74.25 111.701 -173.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -114.17 3.5 15.22 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.042 -0.725 . . . . 71.519999999999996 109.042 172.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.6 m -63.04 129.67 26.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 114.864 -1.062 . . . . 64.299999999999997 111.642 -177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.7 p -145.36 138.26 21.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.908 -0.587 . . . . 72.310000000000002 109.984 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 4.8 t70 -129.99 -161.03 1.08 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.173 -0.677 . . . . 75.420000000000002 109.173 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.894 ' HZ2' ' HB3' ' A' ' 9' ' ' LYS . 4.9 ttpm? 64.97 61.74 0.76 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.694 0.759 . . . . 74.25 109.017 -177.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.6 t -130.41 30.22 4.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.334 -0.848 . . . . 73.140000000000001 109.906 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.7 t -125.47 81.08 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.933 -0.766 . . . . 71.409999999999997 108.933 174.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.664 HG23 ' HG2' ' A' ' 13' ' ' LYS . 3.2 m -120.29 142.35 49.17 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.575 -0.739 . . . . 71.510000000000005 110.616 -174.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.891 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 10.5 mmpt? 66.37 -159.42 0.25 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.835 -0.621 . . . . 74.439999999999998 111.51 172.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.25 20.17 3.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.07 -0.586 . . . . 51.119999999999997 112.0 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.9 t -93.28 90.52 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.679 -0.489 . . . . 75.519999999999996 109.679 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.8 120.06 21.09 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.964 -0.562 . . . . 72.340000000000003 110.694 -178.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.1 pt -121.44 156.42 25.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.991 -0.549 . . . . 71.329999999999998 110.184 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -117.81 131.58 56.55 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.438 -0.346 . . . . 53.100000000000001 110.481 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 95' ' ' LEU . 37.0 mm -67.44 -33.78 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.235 0.54 . . . . 74.400000000000006 109.967 176.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.51 70.35 1.35 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.851 -0.69 . . . . 62.299999999999997 111.62 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -78.71 52.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.601 0.715 . . . . 62.240000000000002 110.626 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.2 p -111.24 10.84 8.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 122.22 1.009 . . . . 73.129999999999995 108.939 176.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.5 tt -91.29 158.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.232 -1.349 . . . . 71.519999999999996 109.661 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.78 115.54 2.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.22 0.533 . . . . 71.420000000000002 111.744 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.441 ' N ' HD21 ' A' ' 25' ' ' ASN . 0.1 OUTLIER -78.38 56.65 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.325 -0.852 . . . . 62.340000000000003 110.856 178.562 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -60.01 -68.2 0.31 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.129 -0.942 . . . . 62.210000000000001 112.468 -173.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' C ' HD21 ' A' ' 27' ' ' ASN . 0.2 OUTLIER -112.72 172.42 6.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.097 0.475 . . . . 71.430000000000007 111.855 -174.421 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 87' ' ' GLN . 62.0 m -103.04 5.51 38.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.582 -0.735 . . . . 72.150000000000006 110.131 178.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.511 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 52.3 m -97.88 124.35 42.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.68 -0.691 . . . . 73.129999999999995 110.647 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.469 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 47.7 t -99.06 135.76 39.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.904 -0.406 . . . . 71.019999999999996 109.904 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.475 ' HB3' ' HZ2' ' A' ' 31' ' ' LYS . 3.9 mmmp? -106.31 112.6 25.68 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.167 -0.469 . . . . 72.310000000000002 110.263 177.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.63 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 93.5 t80 -100.07 118.31 36.17 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.15 -0.685 . . . . 75.5 109.15 176.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 19.6 m -133.04 106.65 7.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.062 0.458 . . . . 75.219999999999999 110.213 -179.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.98 139.36 48.62 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.155 -0.475 . . . . 62.409999999999997 109.866 -178.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -93.03 139.13 30.85 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.902 -0.59 . . . . 74.5 110.143 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -131.04 165.65 22.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.507 -0.315 . . . . 73.329999999999998 110.337 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.95 -55.62 24.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.04 -0.527 . . . . 62.43 111.541 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.412 ' OG1' ' HG2' ' A' ' 41' ' ' GLU . 70.2 p -120.86 159.29 25.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.357 -0.383 . . . . 70.430000000000007 110.106 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.829 ' HG3' HG21 ' A' ' 69' ' ' ILE . 20.7 ttt180 -60.87 -29.32 69.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.268 0.556 . . . . 70.019999999999996 110.092 175.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.41 -45.67 93.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.361 -0.836 . . . . 74.25 110.428 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.412 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 33.2 mm-40 -57.74 -32.68 67.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.693 -0.685 . . . . 73.209999999999994 110.504 175.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 78' ' ' LEU . . . -75.88 -53.17 8.85 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.577 -0.738 . . . . 53.109999999999999 111.702 -174.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.544 ' HG2' HG12 ' A' ' 69' ' ' ILE . 40.0 mt-10 -69.02 -21.02 64.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 53.32 111.363 -176.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.8 m -79.04 -28.05 43.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.493 -0.321 . . . . 72.319999999999993 110.52 177.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.467 ' O ' HD21 ' A' ' 49' ' ' LEU . 22.1 t80 -74.12 -25.84 60.0 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.466 -0.568 . . . . 74.439999999999998 109.466 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.503 ' HE3' ' HB1' ' A' ' 80' ' ' ALA . 50.5 tpp -65.35 -29.73 70.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.593 -0.731 . . . . 74.0 110.764 178.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.549 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 3.1 m -56.5 -49.94 73.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.042 0.449 . . . . 65.0 111.205 -178.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -73.82 -27.02 60.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.062 -0.517 . . . . 74.430000000000007 110.883 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.467 HD21 ' O ' ' A' ' 45' ' ' PHE . 3.4 mm? -62.24 -37.51 85.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.467 -0.333 . . . . 74.25 110.63 174.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.549 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 35.5 mtpt -53.12 -51.22 62.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.121 0.486 . . . . 61.350000000000001 110.133 173.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -54.84 -51.44 65.88 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.345 -0.843 . . . . 61.530000000000001 110.773 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.11 -48.66 80.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.593 -0.73 . . . . 70.530000000000001 111.417 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.64 -43.83 92.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.535 -0.302 . . . . 72.530000000000001 111.267 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.36 71.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 62.130000000000003 111.305 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.7 -43.01 19.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.299 -0.41 . . . . 73.439999999999998 111.321 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.91 -47.89 76.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 72.140000000000001 111.297 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.493 ' HB3' ' HD2' ' A' ' 84' ' ' PHE . 79.4 p -89.88 133.1 34.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.262 -0.426 . . . . 73.030000000000001 110.263 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -75.31 14.59 0.55 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.139 0.495 . . . . 74.129999999999995 111.296 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.407 ' H ' ' C ' ' A' ' 57' ' ' SER . . . -74.12 -30.18 62.18 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.169 -0.469 . . . . 51.329999999999998 109.777 173.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 70.62 -50.59 0.67 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.269 -0.878 . . . . 63.140000000000001 112.467 176.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.72 -30.5 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.12 0.485 . . . . 75.340000000000003 110.139 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.24 167.19 11.88 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.545 -0.752 . . . . 55.520000000000003 111.629 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.63 171.69 9.2 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.051 -0.351 . . . . 65.329999999999998 110.051 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.776 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 69.3 m -74.5 90.15 2.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.963 0.411 . . . . 70.430000000000007 110.092 176.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 3.4 p -101.39 116.42 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.628 0.728 . . . . 53.200000000000003 111.808 -175.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.79 96.75 7.8 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.172 -0.922 . . . . 63.43 108.682 170.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 31.8 p90 -106.84 152.86 23.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.001 0.429 . . . . 74.310000000000002 111.048 -173.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -144.63 148.8 34.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.648 -0.705 . . . . 75.030000000000001 109.781 178.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.829 HG21 ' HG3' ' A' ' 39' ' ' ARG . 4.0 mp -120.04 109.51 26.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 108.68 -0.859 . . . . 70.099999999999994 108.68 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.714 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 22.6 tptm -96.72 119.39 35.12 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.383 0.611 . . . . 53.43 111.047 -173.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.48 105.38 7.5 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.883 -1.053 . . . . 73.019999999999996 109.72 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.562 HD11 ' HB2' ' A' ' 77' ' ' GLU . 94.5 mt -106.93 -175.75 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.258 0.551 . . . . 72.329999999999998 111.338 -176.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -92.77 100.84 13.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.403 -0.817 . . . . 73.409999999999997 110.502 -177.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.43 -7.04 78.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.022 -0.608 . . . . 72.209999999999994 112.479 178.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 12.6 pt20 -160.19 177.82 10.28 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.271 -0.64 . . . . 71.310000000000002 109.271 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.586 HG22 ' HA ' ' A' ' 39' ' ' ARG . 27.0 m -131.87 150.73 34.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.085 -0.339 . . . . 74.430000000000007 110.085 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.714 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 35.5 tt0 -105.52 113.91 27.77 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.901 -0.59 . . . . 74.439999999999998 109.706 179.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.44 HD11 ' HE2' ' A' ' 46' ' ' MET . 3.2 tm? -98.38 114.19 26.43 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.514 -0.921 . . . . 74.530000000000001 108.514 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.63 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 19.7 t70 -128.0 135.82 50.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.112 -0.494 . . . . 61.119999999999997 110.212 -177.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -143.42 124.88 14.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.375 -0.375 . . . . 55.119999999999997 110.845 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -100.17 101.5 12.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.057 -0.52 . . . . 73.420000000000002 110.398 177.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.511 ' O ' ' HA ' ' A' ' 29' ' ' THR . 97.1 m-85 -91.52 111.47 22.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.535 -0.302 . . . . 74.120000000000005 110.486 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.776 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 34.1 m -95.95 105.79 17.86 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.756 -0.461 . . . . 65.129999999999995 109.756 175.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.493 ' HD2' ' HB3' ' A' ' 57' ' ' SER . 94.7 m-85 -86.22 150.02 24.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.949 -0.569 . . . . 63.119999999999997 110.492 -178.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.3 m -64.48 -30.98 72.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.325 0.584 . . . . 61.450000000000003 110.544 177.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.556 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 55.8 m -126.81 142.79 51.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.799 -0.637 . . . . 73.109999999999999 109.627 177.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.417 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 29.0 tt0 -66.98 -28.85 68.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.721 0.295 . . . . 75.450000000000003 110.842 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.442 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.54 -39.13 70.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 63.439999999999998 110.827 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.556 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 2.1 mm-40 -67.2 -28.59 68.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.051 -0.522 . . . . 64.219999999999999 110.295 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.469 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 16.8 tmm? -75.61 -49.36 18.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.609 . . . . 72.340000000000003 110.646 -177.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.51 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 4.7 pt -66.58 -35.97 76.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.239 0.459 . . . . 70.019999999999996 112.239 -177.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 88' ' ' ALA . 36.8 pt -69.63 -29.71 42.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-O 121.166 0.508 . . . . 72.239999999999995 110.354 177.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.583 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 61.8 t80 -64.59 -46.57 82.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.565 -0.743 . . . . 75.409999999999997 109.956 176.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -56.78 -47.59 79.79 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.952 -0.567 . . . . 74.519999999999996 111.307 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 70.5 mt -54.56 -40.22 68.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.671 -0.695 . . . . 75.150000000000006 110.957 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.6 m -83.31 -20.74 33.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.644 -0.707 . . . . 55.210000000000001 111.973 -173.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 79.9 mt -66.17 -52.53 47.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.841 0.353 . . . . 72.530000000000001 111.041 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -75.84 -29.36 58.57 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.685 -0.406 . . . . 74.439999999999998 111.04 -177.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.2 m -75.46 1.79 13.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.616 0.246 . . . . 72.439999999999998 111.447 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.1 tp -101.26 -52.27 3.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 75.010000000000005 111.269 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -111.83 1.6 16.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.467 -0.333 . . . . 70.329999999999998 111.422 -176.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 92.9 mt 68.51 -70.82 0.12 Allowed 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.79 0.836 . . . . 71.319999999999993 111.241 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 54.11 100.67 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 O-C-N 124.003 0.815 . . . . 63.530000000000001 112.294 -177.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -89.79 18.12 5.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.481 0.658 . . . . 65.239999999999995 109.578 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -72.6 118.14 15.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.548 -0.751 . . . . 74.519999999999996 110.444 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -76.83 166.88 22.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.654 -0.703 . . . . 73.109999999999999 110.428 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -90.97 120.63 32.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.676 -0.49 . . . . 73.219999999999999 109.676 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -63.46 144.74 56.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.095 0.474 . . . . 74.239999999999995 111.583 -177.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 39.2 m80 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.281 -0.866 . . . . 72.439999999999998 109.702 177.871 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.752 0.31 . . . . 62.109999999999999 110.362 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.449 ' HB1' ' HE2' ' A' ' 4' ' ' LYS . . . -165.08 87.65 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 44.350000000000001 110.378 178.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -99.11 40.08 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.482 -0.326 . . . . 62.329999999999998 110.667 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.457 ' HE3' ' HB2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -81.01 84.67 6.42 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.85 -0.426 . . . . 74.040000000000006 109.85 178.164 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -126.99 94.26 3.98 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.96 -0.564 . . . . 72.010000000000005 109.979 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 p -128.91 131.02 68.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.571 -0.74 . . . . 64.239999999999995 110.422 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 44.4 t -105.03 101.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.034 -0.53 . . . . 62.030000000000001 111.299 -178.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -155.47 123.28 5.7 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.195 -0.668 . . . . 74.239999999999995 109.195 171.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -167.71 50.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.209 0.528 . . . . 73.25 110.362 -176.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -141.61 94.97 2.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.073 0.463 . . . . 73.120000000000005 110.256 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.0 t -160.51 93.46 1.02 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.854 -0.795 . . . . 65.450000000000003 108.854 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.0 p -119.36 -40.75 2.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.898 -0.592 . . . . 75.209999999999994 111.636 -174.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -73.52 124.55 26.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.01 0.433 . . . . 74.0 111.203 -174.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.24 77.03 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.505 -0.77 . . . . 53.109999999999999 111.844 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -170.84 122.37 0.59 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.958 -0.386 . . . . 63.240000000000002 109.958 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.26 143.4 10.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.057 0.456 . . . . 62.229999999999997 111.469 -178.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.0 tt -101.87 140.29 20.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.778 -0.647 . . . . 72.319999999999993 109.42 174.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -148.96 151.81 35.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.353 -0.24 . . . . 45.43 110.353 -176.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.595 ' O ' HD12 ' A' ' 95' ' ' LEU . 48.3 mt -63.51 -54.3 34.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.567 -0.288 . . . . 73.340000000000003 110.604 176.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.77 50.14 4.05 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.395 -0.431 . . . . 53.539999999999999 113.397 -171.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -102.89 -2.61 27.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.703 0.763 . . . . 74.510000000000005 109.606 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.43 ' O ' HD11 ' A' ' 95' ' ' LEU . 61.4 t -125.02 120.58 58.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.843 -1.071 . . . . 72.340000000000003 109.479 176.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.696 ' HA ' HG22 ' A' ' 91' ' ' ILE . 8.9 tt -128.87 114.98 34.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.372 0.606 . . . . 71.099999999999994 111.277 -176.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -78.33 -28.05 47.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.487 -0.778 . . . . 75.540000000000006 110.166 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 42.64 34.91 0.61 Allowed 'General case' 0 N--CA 1.474 0.756 0 O-C-N 124.102 0.877 . . . . 64.0 111.726 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -79.49 -50.7 10.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.289 -0.869 . . . . 74.25 111.759 -174.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.467 ' HB3' ' H ' ' A' ' 29' ' ' THR . 19.0 m-80 -139.8 -170.61 2.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.679 -0.237 . . . . 74.450000000000003 110.547 -178.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.3 p -111.24 -7.99 14.4 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.264 -1.013 . . . . 72.219999999999999 108.264 167.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.467 ' H ' ' HB3' ' A' ' 27' ' ' ASN . 9.6 m -108.26 125.67 51.94 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.534 -1.212 . . . . 75.109999999999999 110.4 -178.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.9 m -97.41 103.54 15.49 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.867 -0.606 . . . . 74.420000000000002 110.474 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.737 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -98.3 112.42 24.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.867 0.842 . . . . 61.409999999999997 109.311 175.14 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.432 ' HE2' ' HZ ' ' A' ' 45' ' ' PHE . 34.6 t80 -119.27 118.63 31.76 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.634 -1.166 . . . . 74.510000000000005 110.214 -176.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 1.9 m -111.2 131.11 55.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.854 -0.612 . . . . 63.219999999999999 110.523 -178.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -137.19 144.55 42.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.257 -0.428 . . . . 71.219999999999999 110.671 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -96.7 139.09 33.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.309 -0.405 . . . . 73.409999999999997 110.697 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -137.35 174.93 10.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.203 -0.453 . . . . 72.040000000000006 109.79 177.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.27 -55.9 6.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.823 0.344 . . . . 74.019999999999996 111.255 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.5 159.57 34.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.758 0.313 . . . . 72.310000000000002 111.594 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.7 ptt-85 -61.0 -26.49 67.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.86 -0.609 . . . . 65.299999999999997 111.575 -178.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.97 -45.82 90.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.361 0.601 . . . . 73.010000000000005 110.134 175.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -57.05 -31.09 64.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.833 -1.076 . . . . 44.409999999999997 110.508 176.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.57 -37.44 59.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.434 -0.803 . . . . 72.010000000000005 110.89 -178.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.33 -41.48 89.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.388 . . . . 65.129999999999995 110.177 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.8 m -61.61 -30.64 70.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.056 -0.52 . . . . 75.420000000000002 110.786 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.491 ' O ' HD23 ' A' ' 49' ' ' LEU . 62.0 t80 -69.02 -40.12 78.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.219999999999999 109.87 178.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 33.1 tpp -66.65 -30.34 70.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.158 -0.474 . . . . 72.120000000000005 110.665 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.5 m -60.45 -45.57 93.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.966 -0.561 . . . . 63.32 111.279 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 49' ' ' LEU . 3.0 ptpp? -73.18 -36.31 66.55 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.682 -0.407 . . . . 72.540000000000006 110.687 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.1 mm? -64.54 -38.4 90.89 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.342 -0.39 . . . . 55.310000000000002 111.133 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.76 -51.0 62.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 73.030000000000001 111.486 177.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -67.06 -36.43 82.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 75.400000000000006 111.066 -177.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 96.5 mt -66.92 -42.46 85.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.115 -0.493 . . . . 73.150000000000006 110.831 178.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.92 78.66 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.107 -0.497 . . . . 72.340000000000003 111.346 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.94 -33.81 76.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.112 -0.494 . . . . 74.25 111.35 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.55 -29.86 23.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.174 0.511 . . . . 63.409999999999997 111.084 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.9 -54.39 7.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.054 -0.521 . . . . 65.409999999999997 111.673 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.597 ' HA ' ' OE2' ' A' ' 89' ' ' GLU . 20.5 p -99.56 131.85 45.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 74.040000000000006 111.784 -174.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.7 m -97.98 41.68 1.12 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.655 -0.702 . . . . 72.420000000000002 111.3 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.453 ' HB1' ' O ' ' A' ' 62' ' ' GLY . . . -78.48 -53.08 7.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.044 -0.525 . . . . 60.439999999999998 110.898 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -166.1 -73.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 74.209999999999994 110.37 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -127.4 13.58 7.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.671 0.748 . . . . 74.230000000000004 109.323 175.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.453 ' O ' ' HB1' ' A' ' 59' ' ' ALA . . . 147.73 -161.19 28.5 Favored Glycine 0 N--CA 1.443 -0.889 0 CA-C-N 114.806 -1.088 . . . . 72.519999999999996 110.46 -175.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -114.03 167.24 10.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 117.005 0.402 . . . . 63.539999999999999 110.217 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.737 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 41.1 m -66.62 103.53 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.295 0.372 . . . . 71.319999999999993 110.063 177.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 p -100.33 115.75 42.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.532 0.682 . . . . 72.439999999999998 110.955 -176.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.22 96.48 6.15 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.305 -0.861 . . . . 72.129999999999995 109.008 172.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 20.4 p90 -118.36 143.39 46.67 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.212 -0.449 . . . . 72.519999999999996 110.96 -174.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -132.43 152.42 51.49 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.674 -0.693 . . . . 72.140000000000001 109.394 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.472 HG12 HD23 ' A' ' 78' ' ' LEU . 54.2 mt -118.16 114.55 45.55 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 CA-C-N 115.729 -0.669 . . . . 74.519999999999996 109.663 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -94.73 113.65 25.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.238 0.542 . . . . 74.319999999999993 109.987 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.693 ' HA ' HG12 ' A' ' 76' ' ' VAL . 12.2 t70 -90.03 97.26 11.08 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.138 -0.937 . . . . 73.040000000000006 109.33 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 46.4 mt -93.18 165.24 12.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.94 -0.573 . . . . 73.310000000000002 110.249 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -77.95 91.96 4.25 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.902 -0.59 . . . . 54.140000000000001 109.876 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.18 -32.49 3.24 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.925 -0.655 . . . . 73.439999999999998 112.42 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.505 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 14.0 pt20 -162.48 174.3 12.87 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.487 -0.56 . . . . 75.430000000000007 109.487 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.693 HG12 ' HA ' ' A' ' 71' ' ' ASP . 24.5 m -128.7 161.18 38.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 C-N-CA 120.984 -0.286 . . . . 73.340000000000003 110.582 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -123.52 124.74 43.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.182 -0.463 . . . . 70.209999999999994 110.463 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.472 HD23 HG12 ' A' ' 69' ' ' ILE . 3.4 tm? -94.09 114.33 26.46 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.344 -0.984 . . . . 64.409999999999997 108.344 173.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -119.51 102.15 8.45 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.034 -0.53 . . . . 71.400000000000006 109.983 -175.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.457 ' O ' ' HA ' ' A' ' 31' ' ' LYS . . . -115.75 125.44 52.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.442 -0.345 . . . . 72.310000000000002 111.775 -174.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.53 105.44 14.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.34 -0.391 . . . . 38.060000000000002 110.372 176.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -93.21 112.61 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 64.329999999999998 110.184 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.737 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 7.3 m -89.52 106.22 18.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.887 0.375 . . . . 74.129999999999995 110.15 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.502 ' HD1' ' HB3' ' A' ' 57' ' ' SER . 95.9 m-85 -91.7 153.31 19.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.969 -0.56 . . . . 75.299999999999997 111.135 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m -74.4 -21.15 59.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.818 -0.628 . . . . 73.349999999999994 110.752 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.57 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 61.1 m -133.95 150.51 51.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.972 -0.558 . . . . 74.109999999999999 110.127 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -71.44 -30.5 66.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.676 -0.238 . . . . 64.239999999999995 111.452 -178.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.65 -33.92 72.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.714 0.293 . . . . 71.209999999999994 110.821 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.597 ' OE2' ' HA ' ' A' ' 57' ' ' SER . 4.2 mm-40 -63.1 -35.3 79.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.866 -0.606 . . . . 73.239999999999995 110.345 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.403 ' HE3' HG23 ' A' ' 91' ' ' ILE . 37.1 ttp -61.23 -56.21 23.26 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.052 -0.522 . . . . 74.230000000000004 110.881 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.696 HG22 ' HA ' ' A' ' 23' ' ' ILE . 2.2 pt -66.34 -43.73 91.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.708 -0.678 . . . . 75.530000000000001 112.439 -174.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.8 pp -63.96 -30.28 49.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.795 -0.362 . . . . 74.109999999999999 110.877 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.76 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 14.7 t80 -71.98 -52.46 16.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.053 -0.521 . . . . 75.030000000000001 110.251 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -56.04 -45.98 79.02 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.908 -0.587 . . . . 73.340000000000003 111.478 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.595 HD12 ' O ' ' A' ' 19' ' ' ILE . 64.5 mt -65.67 -52.42 51.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.886 -0.597 . . . . 74.430000000000007 111.623 -175.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 m -50.04 -42.89 50.53 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 111.974 0.361 . . . . 70.400000000000006 111.974 172.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.76 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 62.0 mt -65.76 -34.06 77.3 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.645 0.26 . . . . 73.129999999999995 111.586 -177.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -58.51 -47.96 82.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 72.310000000000002 110.89 -175.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.0 m -90.75 13.89 14.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.133 -0.485 . . . . 74.230000000000004 110.858 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.5 tt -105.79 -39.16 6.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.203 -0.453 . . . . 71.030000000000001 110.848 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.456 ' C ' ' H ' ' A' ' 103' ' ' GLU . . . -58.8 -30.29 67.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.725 -0.67 . . . . 73.109999999999999 110.618 177.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 97.8 mt 65.16 -18.68 0.09 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.798 1.036 . . . . 74.239999999999995 113.798 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.456 ' H ' ' C ' ' A' ' 101' ' ' ALA . 28.4 mm-40 -55.63 -54.67 41.22 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.759 0.314 . . . . 75.340000000000003 110.932 178.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -82.86 71.47 9.96 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.163 -0.68 . . . . 73.239999999999995 109.163 174.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -67.23 124.24 22.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.817 -0.629 . . . . 71.340000000000003 109.96 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -92.95 86.35 5.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.012 0.434 . . . . 73.129999999999995 110.792 -176.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -113.13 -2.3 14.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.727 0.775 . . . . 74.319999999999993 109.112 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -76.35 117.45 18.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.166 -0.925 . . . . 72.530000000000001 109.888 175.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 . . . . . 0 C--O 1.242 0.701 0 CA-C-O 118.578 -0.725 . . . . 74.129999999999995 109.624 175.358 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 121.107 0.48 . . . . 73.310000000000002 110.306 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.86 102.71 6.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.833 -0.622 . . . . 63.350000000000001 110.716 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -153.05 82.88 1.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.553 0.692 . . . . 61.140000000000001 110.28 177.03 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -144.07 95.0 2.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.321 0.581 . . . . 62.350000000000001 111.272 -175.46 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -171.26 120.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.797 -0.638 . . . . 62.509999999999998 109.764 177.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.4 m -93.51 137.81 21.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.216 0.532 . . . . 73.310000000000002 112.12 -173.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.5 p -118.65 114.29 44.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.542 -0.754 . . . . 72.230000000000004 110.141 175.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -167.86 124.21 1.08 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.937 -0.574 . . . . 75.140000000000001 111.274 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -136.52 80.49 1.82 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.83 -0.804 . . . . 75.340000000000003 108.83 173.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 p -100.15 77.6 2.0 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.553 0.692 . . . . 62.119999999999997 111.775 -174.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.1 m -93.55 83.56 4.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.707 -0.678 . . . . 75.019999999999996 109.347 173.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.4 m -126.78 111.2 13.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.152 0.501 . . . . 71.310000000000002 111.737 -174.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -170.24 94.93 0.24 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.131 -0.94 . . . . 74.129999999999995 109.045 174.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.9 60.54 0.53 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.916 -0.659 . . . . 73.409999999999997 112.227 -175.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.7 p -126.67 128.09 46.18 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.951 -0.388 . . . . 64.230000000000004 109.951 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.68 89.78 3.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.97 0.414 . . . . 72.349999999999994 110.702 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.9 tp -165.99 130.99 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.295 -0.411 . . . . 64.150000000000006 110.56 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -147.78 104.9 3.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.054 -0.521 . . . . 62.0 110.318 175.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 pt -110.1 88.62 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.449 0.642 . . . . 73.099999999999994 110.111 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.15 -22.55 74.41 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.448 -0.796 . . . . 63.420000000000002 112.71 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t 48.55 -165.64 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.274 1.029 . . . . 71.409999999999997 112.658 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.8 m -113.67 155.27 14.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.68 -0.691 . . . . 72.319999999999993 109.882 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 59.5 mt -80.17 85.33 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.029 0.443 . . . . 74.109999999999999 110.076 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.01 -58.3 3.7 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.441 -0.577 . . . . 53.100000000000001 109.441 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' HA ' ' OE1' ' A' ' 87' ' ' GLN . 4.1 t-20 66.96 109.69 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.062 -0.972 . . . . 64.329999999999998 113.379 169.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -147.96 -74.68 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.995 -0.548 . . . . 72.420000000000002 109.999 170.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -119.57 -174.53 2.76 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.347 -0.612 . . . . 71.430000000000007 109.347 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 76.8 m -111.48 -1.07 16.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.313 0.578 . . . . 74.120000000000005 109.955 173.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 61.1 m -114.95 120.33 39.55 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.473 -0.785 . . . . 72.230000000000004 110.635 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.554 ' HB2' ' HG3' ' A' ' 90' ' ' MET . 33.2 t -100.73 127.98 46.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.735 -0.469 . . . . 52.399999999999999 109.735 176.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -108.45 133.4 52.67 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.682 -0.488 . . . . 65.409999999999997 109.682 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -147.02 130.72 16.94 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.754 -0.657 . . . . 75.310000000000002 110.562 -174.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.612 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 71.8 p -135.07 131.11 36.59 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.134 -0.485 . . . . 64.329999999999998 110.112 175.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -130.22 142.97 50.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.127 -0.488 . . . . 73.409999999999997 109.975 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 60.4 m-85 -88.55 130.41 35.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.149 -0.478 . . . . 64.310000000000002 110.42 -178.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -123.85 170.75 10.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.038 -0.528 . . . . 75.310000000000002 109.998 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.449 ' O ' ' HA ' ' A' ' 75' ' ' GLN . . . -65.64 -59.45 3.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.031 0.443 . . . . 71.049999999999997 111.568 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.7 p -123.5 166.94 14.56 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.224 -0.444 . . . . 73.400000000000006 110.688 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.503 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 8.2 ppt_? -65.15 -22.53 66.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.112 0.482 . . . . 71.140000000000001 109.74 176.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.36 -46.45 88.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.381 -0.827 . . . . 70.0 110.202 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.11 -29.09 68.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.987 -1.006 . . . . 75.019999999999996 110.557 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB3' HD22 ' A' ' 78' ' ' LEU . . . -75.56 -43.08 50.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.882 -0.599 . . . . 71.299999999999997 110.624 -179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 33.5 mt-10 -62.69 -40.67 97.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.905 -0.589 . . . . 71.129999999999995 109.711 176.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.6 m -64.36 -34.95 79.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.292 -0.867 . . . . 63.130000000000003 110.472 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.571 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 31.5 t80 -69.47 -50.58 44.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.233 -0.44 . . . . 74.420000000000002 109.915 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.415 ' HE1' HD13 ' A' ' 78' ' ' LEU . 38.6 tpp -56.43 -28.67 60.13 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.759 0.314 . . . . 71.140000000000001 111.387 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.5 m -57.0 -49.66 75.09 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.167 -0.47 . . . . 74.219999999999999 111.388 178.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 19.8 ptmt -73.07 -27.31 61.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.543 -0.299 . . . . 72.510000000000005 111.295 -177.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.401 HD21 ' O ' ' A' ' 45' ' ' PHE . 4.3 mm? -60.69 -41.38 95.04 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 110.433 -0.21 . . . . 73.409999999999997 110.433 175.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.3 -41.11 98.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.985 0.421 . . . . 73.310000000000002 110.921 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -61.34 -48.27 82.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.709 -0.678 . . . . 63.039999999999999 110.343 177.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.5 mt -67.29 -42.0 84.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.214 -0.903 . . . . 74.019999999999996 111.695 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.18 -42.7 91.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.458 -0.337 . . . . 54.210000000000001 111.613 -176.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.92 -34.53 78.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 64.510000000000005 111.66 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.17 -33.73 22.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.498 -0.319 . . . . 65.099999999999994 111.747 -178.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.68 -51.24 10.13 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.318 0.488 . . . . 64.239999999999995 112.318 -175.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.699 ' HB3' ' HD1' ' A' ' 84' ' ' PHE . 80.3 p -93.45 169.02 10.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.048 0.452 . . . . 71.230000000000004 111.498 -173.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -90.48 10.32 25.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.491 -0.777 . . . . 71.319999999999993 110.305 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.24 98.24 9.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.763 -0.653 . . . . 64.239999999999995 109.357 176.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.91 -31.14 71.91 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.314 -0.857 . . . . 72.319999999999993 112.254 -171.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -98.89 9.99 42.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.402 0.62 . . . . 65.340000000000003 110.052 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.32 142.56 9.0 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.708 -0.678 . . . . 65.430000000000007 112.397 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.35 152.69 43.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.402 -0.222 . . . . 73.239999999999995 110.402 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.694 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 61.4 m -70.37 94.57 0.96 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.114 -0.494 . . . . 73.150000000000006 110.237 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 5.0 p -111.07 118.78 58.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.355 0.598 . . . . 63.210000000000001 111.586 -176.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.33 101.29 12.23 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.282 -1.007 . . . . 74.329999999999998 108.282 170.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 54.3 p90 -121.83 159.78 26.05 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.94 0.4 . . . . 71.519999999999996 111.649 -172.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.474 ' HG2' ' HB3' ' A' ' 79' ' ' ASP . 9.7 ptpp? -143.29 150.34 39.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.618 -0.719 . . . . 74.239999999999995 109.872 175.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 66.5 mt -112.13 105.38 18.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 108.685 -0.857 . . . . 65.140000000000001 108.685 173.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.757 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -101.43 114.37 28.31 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.194 -0.602 . . . . 51.450000000000003 110.632 -175.281 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.734 ' HA ' HG11 ' A' ' 76' ' ' VAL . 5.0 p-10 -69.88 127.04 31.52 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.811 -1.086 . . . . 73.409999999999997 109.593 176.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.3 mt -116.97 -170.51 1.85 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.441 -0.577 . . . . 74.140000000000001 109.441 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -90.67 99.64 12.63 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.796 0.332 . . . . 72.010000000000005 110.261 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.25 14.07 72.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.214 -0.517 . . . . 70.340000000000003 112.449 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.449 ' HA ' ' O ' ' A' ' 37' ' ' ALA . 3.4 pt20 -174.98 -179.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.455 -0.572 . . . . 64.549999999999997 109.455 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.734 HG11 ' HA ' ' A' ' 71' ' ' ASP . 27.8 m -142.2 156.41 19.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.957 -0.386 . . . . 72.129999999999995 109.957 176.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -111.51 118.57 36.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.052 0.453 . . . . 64.409999999999997 110.247 173.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.612 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -90.97 109.95 21.19 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.231 -1.026 . . . . 70.420000000000002 108.231 173.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.474 ' HB3' ' HG2' ' A' ' 68' ' ' LYS . 18.0 t70 -115.87 135.19 54.23 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.696 -0.684 . . . . 74.310000000000002 109.86 -175.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -149.05 140.01 22.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.99 0.424 . . . . 75.109999999999999 111.797 -177.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.497 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -115.69 109.22 17.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.777 -0.647 . . . . 71.349999999999994 109.882 173.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.522 ' O ' ' HA ' ' A' ' 29' ' ' THR . 71.6 m-85 -100.3 113.15 25.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.291 -0.413 . . . . 74.140000000000001 111.571 -176.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.694 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 57.9 m -94.76 115.41 27.47 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.763 -0.458 . . . . 71.040000000000006 109.763 173.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.699 ' HD1' ' HB3' ' A' ' 57' ' ' SER . 92.4 m-85 -97.61 -177.63 3.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.24 -0.437 . . . . 71.230000000000004 110.71 -178.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 p -104.0 -14.31 15.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.905 0.383 . . . . 73.200000000000003 111.227 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.704 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 27.2 m -137.94 157.82 45.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.47 -0.332 . . . . 53.049999999999997 110.14 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.411 ' OE1' ' HA ' ' A' ' 25' ' ' ASN . 7.0 tp-100 -61.1 -49.97 75.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 73.219999999999999 110.937 177.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.569 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -56.57 -42.84 79.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.69 -0.686 . . . . 73.409999999999997 110.886 -176.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.704 ' HG3' ' HB2' ' A' ' 86' ' ' CYS . 77.4 mt-10 -56.54 -29.94 62.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 71.099999999999994 111.501 -176.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.554 ' HG3' ' HB2' ' A' ' 30' ' ' SER . 52.4 ttp -73.96 -58.52 3.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.077 0.465 . . . . 63.340000000000003 110.457 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 pt -68.4 -32.93 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 112.872 0.693 . . . . 72.439999999999998 112.872 -175.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 88' ' ' ALA . 35.9 pt -70.25 -30.48 43.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 120.563 -0.455 . . . . 73.409999999999997 109.93 176.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.599 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 46.4 t80 -64.49 -47.37 79.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.819 -0.628 . . . . 63.350000000000001 109.884 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -58.71 -41.79 87.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.712 -0.676 . . . . 72.420000000000002 110.19 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.17 -47.16 77.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.019 -0.537 . . . . 72.239999999999995 110.937 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -52.36 -41.8 63.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.44 -0.345 . . . . 74.129999999999995 111.163 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 82.4 mt -57.36 -47.7 80.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.315 0.578 . . . . 74.519999999999996 110.854 178.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -77.31 -33.23 55.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.265 -0.88 . . . . 74.420000000000002 111.474 -174.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 m -78.74 -35.32 44.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.451 -0.341 . . . . 71.430000000000007 111.298 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 40.8 tp -70.04 -18.42 63.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.918 0.389 . . . . 75.340000000000003 110.76 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.18 -23.09 63.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.931 -0.577 . . . . 72.129999999999995 109.989 175.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 91.9 mt 64.39 -66.06 0.13 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.12 0.968 . . . . 62.310000000000002 112.735 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.0 -39.3 77.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.897 -0.592 . . . . 72.200000000000003 112.042 -174.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 42.3 m80 70.55 136.18 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.795 0.685 . . . . 65.430000000000007 110.928 -177.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -141.56 -65.66 0.42 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.59 -0.522 . . . . 75.219999999999999 109.59 177.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -83.98 112.06 19.83 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.583 -0.895 . . . . 72.530000000000001 108.583 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -79.66 115.06 19.05 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.284 0.846 . . . . 73.109999999999999 113.284 -167.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 70.02 11.4 7.65 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.454 -1.248 . . . . 75.540000000000006 113.254 166.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.9 m170 . . . . . 0 C--O 1.243 0.738 0 CA-C-O 118.353 -0.832 . . . . 71.319999999999993 110.174 176.564 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 . . . . . 0 C--O 1.234 0.239 0 CA-C-O 121.57 0.7 . . . . 63.530000000000001 111.779 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 p -120.8 -14.7 8.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.651 -1.159 . . . . 73.219999999999999 108.688 169.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 97.9 m -98.28 119.22 36.57 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.148 -0.933 . . . . 43.409999999999997 109.595 173.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.6 t -97.78 148.53 23.29 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.904 -0.406 . . . . 70.439999999999998 109.904 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -122.64 113.24 18.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.915 -0.772 . . . . 72.540000000000006 108.915 -178.698 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.566 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 92.9 t80 -103.87 116.36 32.14 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.669 -0.696 . . . . 75.209999999999994 110.45 -176.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 1.3 p -114.2 135.22 54.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.0 -0.546 . . . . 74.319999999999993 111.585 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.69 147.42 31.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.147 -0.933 . . . . 74.519999999999996 109.253 174.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.4 ' CE1' ' HG2' ' A' ' 77' ' ' GLU . 34.5 m-85 -108.59 124.74 50.95 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.774 -0.454 . . . . 73.010000000000005 109.774 -178.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.477 ' HB3' ' CB ' ' A' ' 41' ' ' GLU . 94.8 m-85 -119.91 166.07 13.8 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.123 -0.49 . . . . 64.140000000000001 110.071 -177.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.0 -30.29 50.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.202 0.314 . . . . 41.43 111.504 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.9 p -131.12 155.5 46.87 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 121.058 -0.257 . . . . 51.009999999999998 110.437 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -62.6 -26.39 68.58 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.723 -0.473 . . . . 74.040000000000006 109.723 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -58.97 -53.43 58.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.675 -0.693 . . . . 74.310000000000002 110.428 173.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' CB ' ' HB3' ' A' ' 36' ' ' PHE . 16.1 mm-40 -52.71 -34.04 50.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.621 -0.718 . . . . 55.229999999999997 111.055 177.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.95 -51.97 28.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.908 -0.587 . . . . 54.43 110.879 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.67 -23.93 61.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 111.584 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.7 m -71.07 -34.11 70.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.862 0.363 . . . . 64.540000000000006 110.275 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.401 ' O ' HD23 ' A' ' 49' ' ' LEU . 5.3 t80 -76.7 -27.31 55.45 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.651 -0.5 . . . . 72.540000000000006 109.651 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.408 ' HE2' HD11 ' A' ' 78' ' ' LEU . 42.1 tpp -60.57 -32.91 71.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.738 -0.664 . . . . 73.329999999999998 110.647 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.438 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 38.4 m -54.73 -53.6 52.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.002 -0.544 . . . . 73.299999999999997 111.177 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.509 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 14.0 ptmt -70.74 -26.82 63.54 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.81 -0.356 . . . . 74.5 111.485 -177.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.0 mm? -62.25 -41.99 98.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.291 -0.263 . . . . 74.230000000000004 110.291 172.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.559 ' HE2' HG11 ' A' ' 65' ' ' VAL . 25.9 mmtp -63.1 -41.12 99.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.596 0.236 . . . . 75.420000000000002 111.016 175.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.509 ' OE1' ' HA ' ' A' ' 48' ' ' LYS . 43.9 mt-10 -59.07 -44.42 91.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.137 0.494 . . . . 71.109999999999999 109.989 177.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.539 HD21 HD22 ' A' ' 100' ' ' LEU . 65.1 mt -70.67 -37.47 73.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.485 -0.779 . . . . 74.109999999999999 111.644 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.95 87.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.413 -0.358 . . . . 41.109999999999999 111.115 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.35 -30.39 71.22 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.306 -0.406 . . . . 50.039999999999999 111.468 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.09 -46.12 24.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.357 -0.383 . . . . 44.340000000000003 110.775 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.75 -50.79 47.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.067 -0.515 . . . . 63.509999999999998 111.339 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.5 p -114.36 120.61 40.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.911 -0.586 . . . . 63.109999999999999 110.07 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 m -71.71 -84.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.381 -0.372 . . . . 72.140000000000001 110.346 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 54.16 -164.97 0.1 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.948 0.88 . . . . 62.0 111.376 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.57 -50.37 11.67 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.689 -1.142 . . . . 61.340000000000003 110.005 175.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -130.0 17.56 5.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.853 -0.612 . . . . 73.420000000000002 110.719 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.35 -176.78 38.89 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.876 -0.678 . . . . 65.329999999999998 112.054 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' A' ' 83' ' ' THR . . . -67.5 167.87 11.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.884 0.373 . . . . 75.349999999999994 111.204 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.772 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 23.3 m -72.6 140.5 48.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.135 -0.484 . . . . 73.219999999999999 110.139 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.559 HG11 ' HE2' ' A' ' 50' ' ' LYS . 4.7 p -135.88 116.46 18.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.569 0.7 . . . . 64.299999999999997 111.368 -176.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.23 106.96 13.86 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.496 -0.775 . . . . 63.039999999999999 109.119 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.521 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 46.0 p90 -101.11 147.55 26.1 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.087 0.47 . . . . 73.439999999999998 111.69 -171.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.569 ' HD2' ' HB3' ' A' ' 79' ' ' ASP . 77.7 mttt -106.58 138.96 41.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.564 -0.744 . . . . 75.439999999999998 109.958 173.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.1 mt -134.82 103.67 4.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 114.897 -1.047 . . . . 72.140000000000001 109.006 172.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.67 ' HE3' HD21 ' A' ' 72' ' ' LEU . 63.3 tttp -105.06 119.12 38.24 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.103 0.478 . . . . 72.099999999999994 110.111 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.45 96.11 7.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.97 -1.014 . . . . 74.319999999999993 109.29 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.67 HD21 ' HE3' ' A' ' 70' ' ' LYS . 96.9 mt -96.17 -176.05 3.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.174 0.512 . . . . 75.230000000000004 111.025 -177.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.84 97.22 10.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.827 -0.624 . . . . 74.099999999999994 110.4 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.07 -15.95 57.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.627 -0.797 . . . . 71.129999999999995 112.588 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.493 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 14.5 pt20 -152.6 176.26 11.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.74 0.305 . . . . 73.129999999999995 110.206 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.7 m -138.15 154.46 28.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.191 -0.458 . . . . 51.299999999999997 110.368 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 70' ' ' LYS . 89.0 mt-10 -102.72 114.98 29.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.198 -0.455 . . . . 61.109999999999999 110.483 175.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.548 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -104.34 111.08 23.57 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.282 -1.007 . . . . 73.450000000000003 108.282 173.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.569 ' HB3' ' HD2' ' A' ' 68' ' ' LYS . 37.8 t70 -133.73 103.1 5.72 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.935 -0.575 . . . . 71.329999999999998 109.811 -177.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.521 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -102.95 124.52 48.61 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.19 -0.459 . . . . 62.420000000000002 111.276 -175.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.35 113.68 25.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.802 -0.635 . . . . 74.430000000000007 110.389 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.502 ' O ' ' HA ' ' A' ' 29' ' ' THR . 79.3 m-85 -103.02 112.77 25.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.854 -0.612 . . . . 65.219999999999999 110.723 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.772 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 86.0 m -90.15 104.36 16.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.162 -0.472 . . . . 63.130000000000003 110.33 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.481 ' HB3' ' HG3' ' A' ' 89' ' ' GLU . 96.5 m-85 -91.34 167.45 12.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.932 -0.576 . . . . 63.140000000000001 110.198 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -92.17 -28.72 16.89 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.426 0.632 . . . . 75.030000000000001 109.548 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.636 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 4.0 m -122.85 163.04 21.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.644 -0.707 . . . . 64.319999999999993 109.546 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.549 ' O ' HG12 ' A' ' 91' ' ' ILE . 24.4 tt0 -81.88 -32.56 30.99 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.713 -0.395 . . . . 72.340000000000003 109.941 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.81 -50.02 69.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.751 -0.659 . . . . 60.140000000000001 111.004 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.636 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 7.0 pt-20 -67.67 -25.84 65.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.455 . . . . 73.409999999999997 111.367 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.5 tmm? -73.24 -53.62 10.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.815 0.34 . . . . 60.149999999999999 110.619 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.634 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 19.5 pt -63.75 -40.92 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.166 0.432 . . . . 61.450000000000003 112.166 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 pp -66.32 -29.03 45.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 120.983 0.42 . . . . 73.109999999999999 110.685 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.556 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 75.8 t80 -62.63 -48.29 80.02 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.492 -0.559 . . . . 64.409999999999997 109.492 174.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -56.66 -41.62 77.54 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.987 -0.551 . . . . 73.230000000000004 111.091 174.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 42.6 mt -61.66 -52.37 64.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.074 -0.512 . . . . 74.109999999999999 110.192 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.4 m -53.69 -41.48 66.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.66 -0.7 . . . . 43.130000000000003 111.364 175.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 93.7 mt -58.87 -46.76 87.01 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.936 0.398 . . . . 65.299999999999997 110.548 177.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -64.26 -29.9 70.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.703 -0.68 . . . . 74.329999999999998 111.408 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.3 t -80.64 -42.99 21.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.077 -0.51 . . . . 74.239999999999995 111.31 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.539 HD22 HD21 ' A' ' 52' ' ' LEU . 15.6 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 72.25 111.64 -173.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 121.283 0.563 . . . . 74.140000000000001 111.454 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 p -96.45 -6.03 38.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.348 0.594 . . . . 71.239999999999995 110.043 175.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 85.3 m -109.52 128.36 55.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.321 -0.854 . . . . 73.25 109.956 176.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 t -97.65 117.55 32.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.273 -0.421 . . . . 61.25 110.259 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -101.15 113.34 26.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.887 -0.597 . . . . 73.310000000000002 110.231 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -116.56 121.56 42.12 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.815 -0.629 . . . . 74.219999999999999 110.213 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.9 p -127.38 122.46 33.71 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.248 0.547 . . . . 63.130000000000003 111.275 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.493 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -141.2 144.75 34.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.88 -0.6 . . . . 74.439999999999998 110.321 178.65 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 70.2 m-85 -104.99 130.08 53.28 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.297 -0.41 . . . . 72.420000000000002 110.179 -178.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -126.37 -174.64 3.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.776 -0.647 . . . . 75.420000000000002 109.734 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.496 ' HB3' ' HG3' ' A' ' 41' ' ' GLU . . . -76.42 -70.5 0.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.871 0.367 . . . . 51.119999999999997 111.809 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.7 p -111.1 166.71 10.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.784 0.326 . . . . 61.409999999999997 111.076 -174.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -57.29 -28.2 62.82 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.181 0.515 . . . . 73.519999999999996 110.381 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.42 -42.52 78.81 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.653 -0.703 . . . . 61.439999999999998 110.521 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.496 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 10.8 mm-40 -55.18 -33.37 62.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.353 -0.839 . . . . 71.040000000000006 110.339 175.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.708 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -74.92 -48.63 23.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.399 -0.818 . . . . 54.409999999999997 110.451 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -56.64 -43.22 80.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.799 -0.637 . . . . 71.209999999999994 110.693 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.0 m -65.22 -30.9 71.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.636 -0.711 . . . . 74.140000000000001 111.595 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.494 ' O ' HD23 ' A' ' 49' ' ' LEU . 34.1 t80 -79.62 -34.27 40.74 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 120.383 -0.527 . . . . 75.200000000000003 109.706 -177.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.511 ' HG3' ' HE3' ' A' ' 50' ' ' LYS . 40.4 tpp -67.59 -24.75 65.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.987 -0.551 . . . . 73.209999999999994 110.84 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 39.6 m -57.39 -46.53 83.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.331 -0.395 . . . . 55.310000000000002 111.882 -178.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -70.78 -27.7 64.11 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.758 -0.377 . . . . 70.530000000000001 111.087 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.662 HD12 ' HZ ' ' A' ' 93' ' ' PHE . 4.5 mm? -65.92 -29.81 70.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.354 . . . . 73.409999999999997 110.599 176.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.511 ' HE3' ' HG3' ' A' ' 46' ' ' MET . 2.2 mptm? -59.15 -49.38 78.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.355 -0.384 . . . . 65.219999999999999 110.773 176.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -60.81 -45.37 94.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 71.439999999999998 110.4 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.99 -47.15 78.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.313 -0.858 . . . . 75.129999999999995 111.316 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.56 78.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.747 0.308 . . . . 61.329999999999998 111.467 -177.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.41 -33.37 74.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.323 -0.399 . . . . 64.530000000000001 111.135 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.28 -30.63 23.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.252 -0.431 . . . . 64.299999999999997 111.288 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.09 -2.58 52.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 74.310000000000002 112.084 -175.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.5 p -111.49 103.07 11.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.499 0.666 . . . . 74.400000000000006 110.59 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.7 m -103.08 -6.7 22.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.66 -0.7 . . . . 61.229999999999997 110.49 -178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.74 83.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.551 . . . . 65.209999999999994 110.12 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 27.8 t70 -177.1 -87.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.6 -0.727 . . . . 72.329999999999998 109.818 175.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 27.5 mt-10 -161.44 7.32 0.07 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.303 -0.862 . . . . 73.120000000000005 108.882 176.331 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.34 60.42 4.71 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.14 -0.936 . . . . 72.549999999999997 112.686 -174.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.28 123.58 43.68 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.063 -0.717 . . . . 75.209999999999994 109.063 174.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.55 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 68.0 m -98.58 100.52 11.76 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 120.845 0.355 . . . . 71.430000000000007 110.636 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 p -100.5 115.89 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-O 121.595 0.712 . . . . 41.149999999999999 110.392 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.24 96.25 5.7 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.175 -0.92 . . . . 72.430000000000007 109.45 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.544 ' HA ' ' O ' ' A' ' 79' ' ' ASP . 15.9 p90 -117.78 139.51 50.97 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.612 -0.435 . . . . 72.25 110.54 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.849 ' HG2' ' HB3' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -115.91 154.08 30.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.849 -0.614 . . . . 64.120000000000005 109.57 176.87 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 64.7 mt -112.73 103.92 16.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 N-CA-C 108.901 -0.777 . . . . 73.420000000000002 108.901 172.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.809 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 22.2 tptm -80.85 103.04 10.41 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.395 0.617 . . . . 75.299999999999997 109.946 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.515 ' HA ' HG12 ' A' ' 76' ' ' VAL . 17.3 t70 -78.98 108.54 12.54 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.563 -1.199 . . . . 71.450000000000003 110.105 -176.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 28.8 mt -119.05 171.51 8.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.046 -0.524 . . . . 65.140000000000001 109.633 177.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -84.93 106.24 16.29 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.715 -0.675 . . . . 72.450000000000003 110.714 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.34 -10.2 61.31 Favored Glycine 0 C--O 1.237 0.312 0 C-N-CA 121.127 -0.559 . . . . 65.140000000000001 112.847 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.494 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 12.3 pt20 -167.45 165.66 14.72 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.231 -0.285 . . . . 75.010000000000005 110.231 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 71' ' ' ASP . 28.2 m -136.72 154.66 32.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.651 -0.25 . . . . 70.200000000000003 110.386 178.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.809 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 37.0 tt0 -105.73 115.08 29.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.056 -0.52 . . . . 72.310000000000002 110.13 175.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.708 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.1 tm? -90.36 109.78 20.88 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.977 -1.12 . . . . 65.040000000000006 107.977 173.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.849 ' HB3' ' HG2' ' A' ' 68' ' ' LYS . 11.7 t70 -115.63 108.86 16.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.57 -0.741 . . . . 73.439999999999998 110.082 -173.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.68 141.34 47.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.174 0.511 . . . . 71.319999999999993 111.984 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -130.79 109.74 10.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.588 -0.733 . . . . 54.539999999999999 109.85 174.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 29' ' ' THR . 88.6 m-85 -103.61 111.62 24.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.575 -0.284 . . . . 74.239999999999995 110.691 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.55 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 90.4 m -102.75 115.12 29.96 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.797 0.332 . . . . 60.310000000000002 110.202 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -100.76 160.51 14.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.29 -0.413 . . . . 74.400000000000006 110.858 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -66.72 -36.15 81.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.936 -0.575 . . . . 74.140000000000001 110.565 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.728 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 33.8 m -118.91 148.71 42.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.819 -0.628 . . . . 71.439999999999998 109.631 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.437 ' O ' HG12 ' A' ' 91' ' ' ILE . 52.6 tt0 -69.08 -28.96 66.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.941 0.4 . . . . 64.25 110.081 176.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.483 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.39 -41.04 72.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.635 -0.711 . . . . 73.150000000000006 111.032 177.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.728 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 1.6 mm-40 -64.39 -32.02 73.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.534 . . . . 64.099999999999994 110.353 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.401 ' O ' ' HB3' ' A' ' 93' ' ' PHE . 8.5 tmm? -71.6 -51.03 25.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 62.409999999999997 110.299 -177.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.556 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.4 pt -66.13 -38.25 81.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.29 0.478 . . . . 65.329999999999998 112.29 -176.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 88' ' ' ALA . 30.8 pt -67.06 -29.46 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 O-C-N 121.887 -0.508 . . . . 73.319999999999993 110.106 176.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.662 ' HZ ' HD12 ' A' ' 49' ' ' LEU . 88.0 t80 -69.22 -51.24 39.73 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.537 -0.756 . . . . 74.25 110.902 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -67.75 -32.86 73.75 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 111.774 0.287 . . . . 74.430000000000007 111.774 -177.042 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 88.2 mt -61.43 -49.79 75.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.014 0.435 . . . . 71.540000000000006 110.358 174.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.9 m -57.93 -32.29 67.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.475 -0.784 . . . . 53.240000000000002 111.669 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 87.0 mt -62.7 -47.69 82.52 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.009 0.433 . . . . 71.450000000000003 110.896 178.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -70.22 -37.39 75.01 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.721 -0.672 . . . . 75.239999999999995 111.274 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.9 m -79.4 9.17 5.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.953 0.406 . . . . 63.5 111.439 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.6 tp . . . . . 0 C--N 1.324 -0.543 0 CA-C-O 120.945 0.402 . . . . 55.109999999999999 110.858 -177.712 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 . . . . . 0 CA--C 1.518 -0.265 0 N-CA-C 109.248 -0.649 . . . . 62.329999999999998 109.248 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 63.1 m -100.68 11.75 38.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.987 0.898 . . . . 64.230000000000004 109.112 172.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.8 m -127.83 130.84 49.3 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.172 -1.376 . . . . 73.140000000000001 108.867 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.2 t -97.77 113.27 25.01 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.01 0.433 . . . . 65.129999999999995 110.628 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -98.06 112.68 24.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.688 -0.687 . . . . 65.25 109.444 173.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -123.72 118.03 26.29 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.177 -0.465 . . . . 71.319999999999993 110.15 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.4 m -117.44 131.55 56.73 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.204 0.526 . . . . 63.399999999999999 110.58 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.585 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 2.9 mmp_? -134.21 150.35 51.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.79 -0.641 . . . . 55.219999999999999 110.602 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -107.46 132.29 53.37 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.797 -0.445 . . . . 74.140000000000001 109.797 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.423 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 73.4 m-85 -127.84 171.51 11.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.316 -0.402 . . . . 74.329999999999998 110.32 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.42 -54.55 13.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.821 0.344 . . . . 62.229999999999997 111.31 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.2 p -128.16 167.47 16.77 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 121.05 -0.26 . . . . 72.420000000000002 110.517 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -60.34 -25.63 65.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.175 0.512 . . . . 71.129999999999995 110.097 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -61.45 -51.04 70.33 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.352 -0.84 . . . . 75.540000000000006 110.338 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.423 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 6.0 mm-40 -55.62 -31.2 62.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.92 -1.036 . . . . 72.439999999999998 110.753 178.03 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.63 -52.79 9.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.455 -0.793 . . . . 75.239999999999995 111.392 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.48 -33.93 75.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.319 -0.401 . . . . 72.540000000000006 111.1 -177.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.8 m -62.94 -28.24 69.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.992 0.425 . . . . 71.299999999999997 111.07 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.552 ' O ' HD23 ' A' ' 49' ' ' LEU . 74.0 t80 -79.96 -36.57 35.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 51.549999999999997 110.59 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 42.1 tpp -71.06 -29.62 65.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.127 -0.488 . . . . 74.400000000000006 111.924 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.68 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 28.1 m -53.79 -51.81 62.27 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.935 0.346 . . . . 65.209999999999994 111.935 -177.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -73.58 -28.12 61.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.809 0.338 . . . . 51.109999999999999 111.243 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 45' ' ' PHE . 3.8 mm? -62.86 -36.89 84.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.385 -0.37 . . . . 64.040000000000006 110.644 176.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.68 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 32.9 mttt -58.03 -42.91 86.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 63.149999999999999 110.962 176.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -68.28 -45.48 72.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 73.310000000000002 110.141 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.24 -38.34 88.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.654 -0.703 . . . . 63.350000000000001 111.138 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.47 -33.05 73.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 64.310000000000002 111.492 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.802 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . . . -70.47 -45.29 66.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.908 0.385 . . . . 63.25 110.787 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.94 82.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.782 -0.645 . . . . 65.040000000000006 111.716 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.91 -13.11 48.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.986 0.365 . . . . 63.109999999999999 111.986 -176.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 82.3 p -74.17 139.68 44.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.115 0.483 . . . . 74.340000000000003 110.884 -177.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.55 -26.66 68.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.571 -0.741 . . . . 41.210000000000001 111.152 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 61' ' ' GLU . . . -92.18 -1.73 56.97 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.464 0.542 . . . . 73.010000000000005 112.464 -173.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.32 -26.02 0.16 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.192 0.812 . . . . 72.120000000000005 113.192 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 59' ' ' ALA . 9.6 mm-40 -66.55 -56.37 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.335 0.588 . . . . 71.540000000000006 110.482 177.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.802 ' HA2' ' HA ' ' A' ' 54' ' ' ALA . . . 163.74 159.39 10.72 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 115.191 -0.913 . . . . 45.549999999999997 110.915 -177.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -87.01 153.7 21.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.807 0.304 . . . . 74.140000000000001 110.487 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.844 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 19.8 m -65.55 97.93 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.242 -0.436 . . . . 74.420000000000002 109.836 176.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.461 HG22 ' HD2' ' A' ' 67' ' ' TYR . 4.3 p -103.22 116.94 47.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.516 0.674 . . . . 74.5 111.084 -177.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.14 100.82 9.15 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.445 -0.798 . . . . 61.219999999999999 109.0 172.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.461 ' HD2' HG22 ' A' ' 65' ' ' VAL . 44.0 p90 -112.68 143.4 43.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.915 0.388 . . . . 74.010000000000005 111.132 -175.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -135.02 154.08 51.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.75 -0.659 . . . . 71.129999999999995 110.584 175.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.9 mt -132.15 114.47 24.01 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.098 -0.955 . . . . 73.019999999999996 109.931 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -104.15 119.67 39.46 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.265 -0.425 . . . . 63.409999999999997 110.301 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.545 ' HA ' HG12 ' A' ' 76' ' ' VAL . 8.1 m-20 -80.02 118.42 21.73 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.539 -0.755 . . . . 72.439999999999998 109.91 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.3 mt -111.24 -175.26 2.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.374 -0.375 . . . . 74.239999999999995 110.083 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -90.79 100.52 13.36 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.904 0.383 . . . . 73.439999999999998 110.496 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.66 -16.85 57.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.067 -0.587 . . . . 52.109999999999999 112.211 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -154.35 177.04 11.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.893 -0.41 . . . . 74.319999999999993 109.893 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' ' 71' ' ' ASP . 35.8 m -137.21 159.92 35.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 110.416 -0.216 . . . . 73.439999999999998 110.416 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -112.45 115.36 28.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.948 0.404 . . . . 74.340000000000003 110.503 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -93.41 115.94 28.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.237 -1.023 . . . . 65.049999999999997 108.237 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -116.23 117.75 30.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.01 -0.541 . . . . 72.230000000000004 110.412 -175.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.24 146.61 41.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.067 0.461 . . . . 65.099999999999994 111.551 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -142.6 106.28 4.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.647 -0.706 . . . . 73.129999999999995 109.827 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -109.58 112.31 24.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.419 -0.355 . . . . 75.040000000000006 110.741 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.844 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 19.3 m -94.4 108.71 20.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.236 -0.438 . . . . 72.420000000000002 110.364 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.59 ' HB3' ' HB3' ' A' ' 89' ' ' GLU . 97.4 m-85 -99.31 -13.52 19.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 72.219999999999999 110.611 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 m 74.98 -33.42 0.24 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.526 -1.215 . . . . 52.130000000000003 111.527 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 59.9 m -105.33 149.4 26.1 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.433 -0.581 . . . . 60.140000000000001 109.433 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.526 ' O ' HG12 ' A' ' 91' ' ' ILE . 17.0 tt0 -77.1 -31.75 56.13 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.193 -0.203 . . . . 74.129999999999995 111.259 -177.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.82 71.73 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.624 -0.51 . . . . 73.219999999999999 109.624 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.59 ' HB3' ' HB3' ' A' ' 84' ' ' PHE . 0.4 OUTLIER -54.55 -29.94 52.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.583 -0.735 . . . . 74.040000000000006 111.867 173.663 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.421 ' HE3' ' HB3' ' A' ' 90' ' ' MET . 15.7 tmm? -75.38 -49.92 17.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.545 -0.298 . . . . 73.319999999999993 110.735 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 87' ' ' GLN . 12.3 pt -70.39 -34.21 57.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 112.289 0.477 . . . . 60.049999999999997 112.289 -176.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.5 pt -65.92 -30.72 50.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.231 0.539 . . . . 73.230000000000004 110.073 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.641 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 34.4 t80 -69.2 -44.95 71.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.727 -0.67 . . . . 74.209999999999994 109.411 175.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 71.4 mm-40 -55.95 -52.73 63.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.622 -0.717 . . . . 74.409999999999997 111.28 176.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.0 mt -55.1 -42.15 72.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.325 -0.398 . . . . 72.549999999999997 111.08 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.8 m -63.53 -47.56 81.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 72.129999999999995 111.14 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 58.3 mt -62.03 -48.49 80.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.128 0.489 . . . . 73.430000000000007 111.239 -178.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 94' ' ' GLU . 87.9 mtt180 -67.53 -37.45 82.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.625 -0.716 . . . . 75.430000000000007 111.33 -171.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.6 m -75.22 -30.93 60.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.969 0.414 . . . . 60.119999999999997 111.075 -178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.9 tp . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 121.083 0.468 . . . . 72.030000000000001 110.698 -178.312 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 . . . . . 0 CA--C 1.518 -0.26 0 N-CA-C 108.78 -0.822 . . . . 74.219999999999999 108.78 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 66.4 m -100.43 9.8 42.1 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.199 0.523 . . . . 70.140000000000001 109.635 176.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 12.3 m -98.43 121.13 39.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.658 -0.701 . . . . 54.009999999999998 110.719 -178.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.471 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 16.5 m -98.13 113.72 25.71 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.785 -0.643 . . . . 73.120000000000005 110.053 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 14.8 mmmt -103.07 130.03 50.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.811 -0.631 . . . . 73.150000000000006 111.69 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.42 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 51.9 t80 -133.05 120.46 21.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.464 -0.569 . . . . 72.329999999999998 109.464 170.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -126.76 119.44 26.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.458 -0.337 . . . . 72.519999999999996 110.681 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -146.74 145.45 29.97 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.476 -0.194 . . . . 73.329999999999998 110.476 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -85.14 141.94 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.934 -0.395 . . . . 72.409999999999997 109.934 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.439 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 81.1 m-85 -128.44 159.75 34.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.261 -0.427 . . . . 61.219999999999999 110.526 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.28 96.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 51.549999999999997 111.511 -176.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.7 p -136.47 160.39 38.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.511 -0.313 . . . . 74.219999999999999 110.195 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.527 ' HG3' HG21 ' A' ' 69' ' ' ILE . 69.1 ttt180 -59.67 -31.78 69.87 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.942 0.401 . . . . 72.329999999999998 109.934 174.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -54.86 -47.11 74.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.74 -0.664 . . . . 64.540000000000006 110.715 175.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.439 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 21.8 mm-40 -57.72 -30.64 65.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.421 -0.809 . . . . 62.229999999999997 110.993 177.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.477 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -75.85 -44.63 39.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.917 -0.583 . . . . 75.549999999999997 110.375 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 69.9 mm-40 -59.96 -45.0 94.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.786 -0.643 . . . . 63.420000000000002 110.059 177.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.3 m -66.32 -28.22 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.573 -0.74 . . . . 62.140000000000001 111.698 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.567 ' O ' HD23 ' A' ' 49' ' ' LEU . 50.3 t80 -74.09 -35.38 64.19 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.145 0.497 . . . . 71.239999999999995 109.762 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 35.2 tpp -67.9 -24.34 65.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.554 -0.748 . . . . 63.020000000000003 111.268 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.708 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 3.0 m -56.41 -49.35 74.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.286 -0.415 . . . . 51.140000000000001 111.556 -177.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -71.68 -29.88 65.08 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.682 -0.407 . . . . 65.420000000000002 110.714 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.1 mm? -61.03 -40.3 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 71.230000000000004 110.539 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.708 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 22.9 mttm -54.01 -51.09 65.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.697 -0.683 . . . . 74.040000000000006 111.682 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -69.6 -42.22 74.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.028 0.442 . . . . 74.239999999999995 111.319 -178.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.73 -41.69 99.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.769 -0.65 . . . . 74.340000000000003 111.584 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.83 94.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 62.140000000000001 111.149 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.46 91.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.985 -0.552 . . . . 75.209999999999994 111.025 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.53 -39.02 77.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 74.510000000000005 111.504 -177.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.519 ' HB1' HD11 ' A' ' 92' ' ' ILE . . . -58.45 -46.27 86.88 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.261 -0.427 . . . . 54.409999999999997 111.416 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.676 ' HB3' ' HA2' ' A' ' 62' ' ' GLY . 34.3 t -86.86 -36.99 18.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.27 -0.423 . . . . 71.340000000000003 111.348 -177.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m 66.08 6.07 3.92 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.687 -0.688 . . . . 43.119999999999997 111.701 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.85 38.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.511 -0.313 . . . . 71.310000000000002 111.05 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 66.11 -74.29 0.06 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.365 0.666 . . . . 63.229999999999997 111.713 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.25 -38.55 90.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.098 0.475 . . . . 71.510000000000005 110.303 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.676 ' HA2' ' HB3' ' A' ' 57' ' ' SER . . . 87.23 -93.63 1.9 Allowed Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.846 -0.693 . . . . 53.299999999999997 112.174 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.33 146.16 30.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.489 0.185 . . . . 45.009999999999998 110.773 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.7 m -73.54 123.15 23.4 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.365 -0.605 . . . . 63.509999999999998 109.365 173.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.629 HG22 ' HD2' ' A' ' 67' ' ' TYR . 4.6 p -102.35 116.64 46.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.643 0.735 . . . . 73.299999999999997 111.379 -175.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.66 96.85 6.2 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.377 -0.829 . . . . 73.109999999999999 109.046 172.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.629 ' HD2' HG22 ' A' ' 65' ' ' VAL . 48.8 p90 -109.71 132.68 53.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.271 0.558 . . . . 72.239999999999995 111.203 -175.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -109.06 134.99 50.95 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.524 -0.762 . . . . 61.119999999999997 110.293 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.527 HG21 ' HG3' ' A' ' 39' ' ' ARG . 60.1 mt -131.58 104.31 8.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 CA-C-N 114.989 -1.005 . . . . 65.140000000000001 108.936 177.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -98.53 117.63 33.41 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.556 -0.458 . . . . 63.329999999999998 110.29 -176.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.72 ' HA ' HG12 ' A' ' 76' ' ' VAL . 15.9 m-20 -72.32 102.12 3.05 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.148 -0.933 . . . . 64.209999999999994 109.383 177.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 31.2 mt -95.51 -172.59 2.67 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.967 -0.561 . . . . 74.140000000000001 109.502 -178.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -93.87 98.67 11.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.085 0.469 . . . . 62.549999999999997 110.349 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.44 -4.11 61.84 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.801 -0.714 . . . . 42.240000000000002 112.82 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 10.7 pt20 -168.6 179.13 4.42 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.987 -0.375 . . . . 70.239999999999995 109.987 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.72 HG12 ' HA ' ' A' ' 71' ' ' ASP . 34.3 m -139.43 163.09 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.577 0.227 . . . . 72.010000000000005 110.413 176.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -114.53 122.81 47.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.489 -0.323 . . . . 71.430000000000007 110.169 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.515 HD23 HG12 ' A' ' 69' ' ' ILE . 3.4 tm? -100.55 116.67 33.04 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.857 -0.794 . . . . 72.040000000000006 108.857 176.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.42 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 25.2 t70 -128.97 110.07 11.76 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.885 -0.598 . . . . 64.109999999999999 110.257 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -110.52 124.52 51.97 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.052 -0.522 . . . . 64.530000000000001 111.118 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 30' ' ' SER . . . -117.97 108.51 15.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.529 . . . . 73.310000000000002 110.622 176.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.449 ' CE1' HD12 ' A' ' 49' ' ' LEU . 54.8 m-85 -99.37 131.15 45.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.231 -0.44 . . . . 62.409999999999997 110.667 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.9 m -96.15 104.97 16.95 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.108 -0.33 . . . . 62.109999999999999 110.108 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -92.1 -177.75 4.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 70.510000000000005 110.873 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 88.6 p -102.43 -31.9 10.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.208 0.528 . . . . 71.329999999999998 110.919 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.671 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 15.8 m -119.68 150.49 40.27 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.002 -0.544 . . . . 74.519999999999996 109.867 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.437 ' O ' HG12 ' A' ' 91' ' ' ILE . 53.0 tp60 -62.09 -40.89 97.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.091 0.472 . . . . 75.349999999999994 110.364 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.31 -37.03 66.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.515 -0.766 . . . . 64.049999999999997 111.139 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.671 ' HG3' ' HB2' ' A' ' 86' ' ' CYS . 47.2 mt-10 -65.52 -32.15 73.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 65.120000000000005 110.802 -177.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.2 ttt -68.74 -54.48 15.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.28 0.562 . . . . 62.140000000000001 110.76 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 87' ' ' GLN . 1.4 pt -67.74 -32.85 58.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.547 -0.751 . . . . 74.519999999999996 112.718 -174.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.519 HD11 ' HB1' ' A' ' 56' ' ' ALA . 2.6 pp -73.43 -30.74 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.305 -0.558 . . . . 70.310000000000002 110.708 175.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.677 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 39.9 t80 -70.16 -51.73 29.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.88 -0.6 . . . . 72.129999999999995 110.863 -176.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -59.98 -41.66 92.48 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.822 0.344 . . . . 53.340000000000003 111.11 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.75 -48.04 78.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.218 -0.446 . . . . 71.340000000000003 110.584 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.4 t -59.3 -40.88 87.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 72.340000000000003 111.315 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.3 mt -57.3 -48.44 78.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.035 0.445 . . . . 55.109999999999999 111.139 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 98' ' ' ARG . 38.0 mtp180 -77.47 -36.8 52.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.631 -0.713 . . . . 73.319999999999993 111.115 -175.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 m -85.62 2.24 45.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 54.439999999999998 111.351 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.6 tp . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 121.268 0.556 . . . . 70.340000000000003 109.717 176.931 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 . . . . . 0 C--O 1.231 0.129 0 N-CA-C 110.172 -0.307 . . . . 72.439999999999998 110.172 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.1 p -100.01 -14.44 18.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.229 0.538 . . . . 72.129999999999995 110.022 175.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.8 m -99.12 125.8 44.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.718 -0.673 . . . . 41.100000000000001 109.367 172.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 t -127.08 122.0 33.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.723 0.297 . . . . 62.039999999999999 110.362 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HG3' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -99.77 152.35 20.21 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 121.029 0.442 . . . . 72.25 110.314 172.203 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.508 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 67.1 t80 -134.51 116.04 14.62 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.555 -0.748 . . . . 71.140000000000001 109.442 176.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.0 m -110.52 112.74 24.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.95 -0.568 . . . . 71.239999999999995 110.025 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -131.87 139.92 48.94 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.663 -0.495 . . . . 71.299999999999997 109.663 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -92.75 139.74 30.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.905 0.383 . . . . 65.319999999999993 110.768 -175.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -132.43 179.84 5.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.761 -0.654 . . . . 75.109999999999999 109.648 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.69 -58.65 3.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.784 0.326 . . . . 65.129999999999995 110.877 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.0 p -131.88 170.26 15.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.486 -0.325 . . . . 63.439999999999998 110.85 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.673 ' HB2' HG21 ' A' ' 69' ' ' ILE . 5.2 ptp180 -63.86 -24.18 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.0 0.428 . . . . 74.219999999999999 110.289 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.72 -46.72 84.13 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.518 0.675 . . . . 72.239999999999995 109.863 176.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.07 -28.12 68.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.815 -1.084 . . . . 54.109999999999999 110.315 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.523 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -74.98 -39.59 61.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.43 -0.804 . . . . 74.230000000000004 111.104 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 24.1 mm-40 -60.19 -42.29 94.72 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.229 -0.442 . . . . 73.219999999999999 110.345 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -61.36 -28.79 69.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 54.210000000000001 111.467 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.45 ' O ' HD23 ' A' ' 49' ' ' LEU . 51.8 t80 -73.5 -37.17 65.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.607 -0.516 . . . . 55.240000000000002 109.607 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.407 ' CE ' ' HA ' ' A' ' 46' ' ' MET . 0.9 OUTLIER -64.87 -30.52 71.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.754 -0.657 . . . . 60.350000000000001 111.046 179.241 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.9 m -57.64 -53.17 61.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.109999999999999 111.763 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -73.74 -28.27 61.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.912 0.386 . . . . 72.400000000000006 111.234 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.545 HD13 HD12 ' A' ' 52' ' ' LEU . 3.6 mm? -70.25 -27.36 64.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.147 -0.479 . . . . 72.219999999999999 111.073 178.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.42 -41.84 99.0 Favored 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 110.012 -0.366 . . . . 74.409999999999997 110.012 176.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -60.39 -41.12 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.809 -0.632 . . . . 74.5 110.662 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.56 HD21 HD22 ' A' ' 100' ' ' LEU . 77.4 mt -64.36 -51.17 64.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.811 -0.631 . . . . 61.409999999999997 110.998 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.39 -40.31 96.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.855 0.36 . . . . 75.540000000000006 111.285 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.65 90.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.062 -0.517 . . . . 62.210000000000001 111.33 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.96 -36.9 35.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.579 -0.282 . . . . 75.310000000000002 111.633 -176.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.38 -55.9 13.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 74.319999999999993 111.579 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.5 m -97.99 -55.2 2.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.35 -0.387 . . . . 44.530000000000001 111.714 -175.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.9 m 69.11 -63.85 0.35 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.122 -0.945 . . . . 60.130000000000003 110.647 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 58.34 -82.55 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.895 0.747 . . . . 64.439999999999998 111.128 -175.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -160.3 -58.24 0.06 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.461 -0.57 . . . . 65.239999999999995 109.461 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -114.32 14.28 17.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.384 -0.825 . . . . 75.140000000000001 111.084 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.12 173.83 21.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.86 -0.685 . . . . 54.240000000000002 113.005 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.65 163.85 13.2 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.473 0.309 . . . . 71.209999999999994 110.189 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.941 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 45.7 m -73.3 94.46 2.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.89 0.376 . . . . 74.430000000000007 110.381 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 p -111.27 121.16 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-O 121.389 0.614 . . . . 73.219999999999999 110.296 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.11 99.16 4.63 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.619 -0.719 . . . . 71.519999999999996 109.916 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.649 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 20.1 p90 -99.3 138.48 36.33 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.075 -0.343 . . . . 63.219999999999999 110.075 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -114.02 155.63 25.57 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.69 -0.485 . . . . 74.25 109.69 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.673 HG21 ' HB2' ' A' ' 39' ' ' ARG . 61.2 mt -125.0 115.55 44.53 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.54 -0.755 . . . . 75.409999999999997 109.338 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.862 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 38.9 ttmt -98.99 96.45 7.83 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.631 0.729 . . . . 70.319999999999993 109.73 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.79 ' HA ' HG12 ' A' ' 76' ' ' VAL . 4.6 m-20 -72.02 104.82 3.67 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.207 -1.361 . . . . 75.450000000000003 109.704 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.34 -172.67 2.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.313 0.578 . . . . 71.049999999999997 111.069 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -78.99 101.47 7.8 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.495 -0.775 . . . . 73.519999999999996 110.622 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.8 -6.07 79.56 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.877 -0.678 . . . . 44.340000000000003 113.203 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -164.97 177.12 8.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.731 0.265 . . . . 74.340000000000003 110.448 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' ' 71' ' ' ASP . 35.3 m -134.96 155.05 37.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.917 0.389 . . . . 62.539999999999999 111.055 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.862 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 27.7 tt0 -105.51 114.34 28.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.672 -0.695 . . . . 72.549999999999997 109.503 174.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.523 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.4 tm? -98.12 114.67 26.94 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.817 -0.808 . . . . 73.310000000000002 108.817 176.299 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.508 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 27.0 t70 -126.91 111.02 13.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.292 -0.413 . . . . 75.25 110.438 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.649 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -103.92 124.07 48.31 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.111 -0.495 . . . . 72.349999999999994 110.844 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.453 ' HA ' ' HG3' ' A' ' 31' ' ' LYS . . . -96.02 109.94 22.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.08 -0.509 . . . . 74.329999999999998 110.754 178.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -102.34 124.35 47.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.226 -0.443 . . . . 73.0 110.602 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.941 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 10.8 m -115.19 107.24 15.03 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.857 -0.423 . . . . 51.109999999999999 109.857 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.549 ' HB3' ' HB2' ' A' ' 89' ' ' GLU . 70.0 m-85 -99.67 146.54 26.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.736 -0.666 . . . . 75.409999999999997 110.405 -177.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.9 m -63.69 -36.26 83.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.112 -0.495 . . . . 63.43 110.786 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 43.1 m -130.65 162.51 29.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.04 -0.527 . . . . 73.109999999999999 110.328 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.413 ' O ' HG12 ' A' ' 91' ' ' ILE . 19.6 tt0 -70.31 -26.39 63.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.412 -0.358 . . . . 52.439999999999998 110.526 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.85 -43.97 77.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.556 . . . . 72.109999999999999 110.758 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.549 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 1.8 mm-40 -67.89 -28.8 67.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 64.099999999999994 110.268 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -75.21 -49.76 18.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.955 -0.566 . . . . 71.219999999999999 110.348 -175.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 87' ' ' GLN . 21.5 pt -66.63 -36.25 76.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.108 0.41 . . . . 65.109999999999999 112.108 -176.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 88' ' ' ALA . 39.9 pt -69.71 -30.67 45.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-O 121.225 0.536 . . . . 54.130000000000003 110.25 177.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.611 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 88.5 t80 -66.42 -47.82 72.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.511 -0.768 . . . . 72.439999999999998 110.183 177.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.428 ' HA ' HD12 ' A' ' 97' ' ' LEU . 22.3 mm-40 -55.71 -49.29 73.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.913 -0.585 . . . . 61.509999999999998 111.185 178.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.72 -44.78 93.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 75.129999999999995 110.933 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.7 t -71.88 -23.14 61.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.927 -0.579 . . . . 73.230000000000004 111.323 -176.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 67.5 mt -53.36 -56.97 12.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.891 0.377 . . . . 73.040000000000006 111.186 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.526 ' HD3' ' H ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -77.82 -29.51 50.66 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.502 -0.479 . . . . 75.400000000000006 111.157 -178.563 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 m -77.42 -8.08 57.16 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.97 0.359 . . . . 64.409999999999997 111.97 -175.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.56 HD22 HD21 ' A' ' 52' ' ' LEU . 24.6 tp . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 121.231 0.539 . . . . 72.25 110.053 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 p30 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.066 -0.716 . . . . 73.319999999999993 109.066 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.6 p 163.22 15.94 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 O-C-N 124.37 1.044 . . . . 63.329999999999998 109.952 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 31.1 m -115.96 123.16 47.34 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 120.94 0.4 . . . . 64.030000000000001 111.116 -173.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.751 ' HB2' ' HG3' ' A' ' 90' ' ' MET . 28.3 t -97.22 121.79 39.51 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.307 -0.627 . . . . 75.319999999999993 109.307 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -109.2 151.71 26.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.954 0.407 . . . . 74.230000000000004 110.028 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -161.75 123.45 2.83 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.413 -0.812 . . . . 74.230000000000004 110.108 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.636 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 4.4 m -133.41 107.09 7.86 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.708 -0.478 . . . . 74.510000000000005 109.708 175.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -113.98 142.55 46.02 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.051 -0.351 . . . . 64.530000000000001 110.051 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.462 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 81.3 m-85 -90.18 132.87 35.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.282 -0.417 . . . . 73.430000000000007 110.048 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.487 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 97.4 m-85 -119.39 158.02 27.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.217 -0.447 . . . . 53.43 110.633 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.12 99.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 74.420000000000002 111.041 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.414 ' OG1' ' HG2' ' A' ' 41' ' ' GLU . 39.2 p -133.69 160.65 36.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.623 -0.262 . . . . 74.019999999999996 110.44 178.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.772 ' HA ' HG21 ' A' ' 76' ' ' VAL . 21.0 ttt180 -61.95 -30.13 70.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.889 0.376 . . . . 75.239999999999995 110.237 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -55.55 -49.84 71.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.775 -0.648 . . . . 54.100000000000001 110.354 175.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 12.2 mm-40 -56.55 -32.56 65.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.996 -1.002 . . . . 61.329999999999998 110.976 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.15 -52.15 10.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.559 -0.746 . . . . 71.010000000000005 110.957 -178.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 1.033 ' HG2' HD13 ' A' ' 69' ' ' ILE . 51.4 mt-10 -64.01 -34.16 77.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 74.439999999999998 110.769 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.0 t -65.47 -29.27 69.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.938 -0.574 . . . . 73.010000000000005 110.953 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.51 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 56.2 t80 -76.1 -42.88 45.8 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.43 -0.35 . . . . 73.0 110.226 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.3 tpp -63.11 -24.26 67.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 72.209999999999994 111.292 -178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.505 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 31.3 m -53.96 -50.33 66.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.339 -0.392 . . . . 62.549999999999997 111.463 178.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 17.0 ptmt -74.07 -27.79 61.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.351 -0.386 . . . . 75.010000000000005 111.353 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.439 HD12 ' HZ ' ' A' ' 93' ' ' PHE . 4.4 mm? -63.61 -30.25 71.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.732 0.301 . . . . 70.099999999999994 110.453 176.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 47' ' ' THR . 5.2 mptp? -56.39 -40.54 74.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 71.340000000000003 110.719 174.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -75.25 -51.13 14.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.968 -0.56 . . . . 74.400000000000006 110.783 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.0 mt -57.87 -42.72 85.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.349 -0.841 . . . . 73.019999999999996 112.161 -174.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.19 85.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.747 0.308 . . . . 54.450000000000003 111.64 -178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.573 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . . . -76.08 -30.25 58.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.312 -0.403 . . . . 72.310000000000002 111.452 -177.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.02 -33.91 38.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.876 0.37 . . . . 43.219999999999999 111.357 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.7 -42.31 22.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.05 -0.523 . . . . 63.109999999999999 111.437 -178.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -86.3 127.76 34.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.052 0.453 . . . . 51.530000000000001 111.064 -175.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m -77.96 12.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.681 -0.691 . . . . 65.129999999999995 111.826 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 60' ' ' ASP . . . -89.4 19.31 4.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.52 -0.309 . . . . 64.099999999999994 111.464 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 59' ' ' ALA . 4.7 m-20 71.17 -69.66 0.18 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.745 -0.661 . . . . 53.039999999999999 112.258 177.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -92.99 31.76 1.37 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.871 -0.604 . . . . 74.450000000000003 111.09 -171.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.573 ' HA2' ' HA ' ' A' ' 54' ' ' ALA . . . 85.61 -133.35 11.73 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.744 -0.741 . . . . 43.420000000000002 111.856 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.62 171.3 14.57 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.151 -0.314 . . . . 72.129999999999995 110.151 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.542 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 73.8 m -75.31 99.18 4.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.575 -0.284 . . . . 54.100000000000001 110.494 178.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 6.0 p -111.11 116.15 51.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.602 0.715 . . . . 55.530000000000001 111.411 -178.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.57 97.27 9.26 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.238 -1.023 . . . . 73.549999999999997 108.238 171.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -121.17 155.34 34.74 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.015 0.436 . . . . 73.239999999999995 110.93 -173.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.609 ' HG2' ' HB3' ' A' ' 79' ' ' ASP . 10.2 ptpp? -147.77 156.98 43.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.95 -0.568 . . . . 73.340000000000003 110.205 178.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 1.033 HD13 ' HG2' ' A' ' 43' ' ' GLU . 23.2 mt -121.68 104.92 15.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 N-CA-C 108.231 -1.025 . . . . 70.239999999999995 108.231 177.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.717 ' HB3' ' HG2' ' A' ' 77' ' ' GLU . 83.8 tttt -107.71 121.93 45.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.253 0.549 . . . . 72.239999999999995 111.23 -168.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.77 ' HA ' HG12 ' A' ' 76' ' ' VAL . 5.5 m-20 -77.83 127.35 32.26 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.994 -1.003 . . . . 63.200000000000003 110.423 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.5 mt -122.09 -177.88 3.71 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.02 -0.363 . . . . 73.030000000000001 110.02 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -86.86 102.7 14.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.87 0.367 . . . . 73.540000000000006 110.571 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.09 -3.95 73.87 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.941 -0.647 . . . . 63.009999999999998 112.219 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -164.5 177.91 7.79 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.937 -0.394 . . . . 74.409999999999997 109.937 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.772 HG21 ' HA ' ' A' ' 39' ' ' ARG . 27.4 m -140.58 153.78 21.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.302 -0.629 . . . . 71.049999999999997 109.302 174.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.717 ' HG2' ' HB3' ' A' ' 70' ' ' LYS . 13.0 pt-20 -109.12 126.7 53.48 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.609 0.719 . . . . 74.019999999999996 110.011 176.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.636 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -97.65 110.56 23.1 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.383 -0.969 . . . . 75.239999999999995 108.383 174.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.609 ' HB3' ' HG2' ' A' ' 68' ' ' LYS . 9.6 t70 -107.56 126.58 52.72 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.474 -0.785 . . . . 72.209999999999994 110.247 -175.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -139.12 135.71 34.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.385 -0.37 . . . . 65.219999999999999 110.751 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.583 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -134.11 100.64 4.77 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.237 -0.438 . . . . 73.329999999999998 109.902 175.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 29' ' ' THR . 82.0 m-85 -93.47 112.65 24.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.118 -0.492 . . . . 71.010000000000005 110.345 -177.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.542 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 63.9 m -94.76 108.91 20.92 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.637 -0.505 . . . . 74.319999999999993 109.637 175.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -89.86 168.52 11.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.842 -0.617 . . . . 71.540000000000006 110.52 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.3 p -76.56 -23.23 53.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.182 0.515 . . . . 74.409999999999997 110.711 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.512 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 63.9 m -140.51 154.2 46.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.848 -0.614 . . . . 65.209999999999994 110.088 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.401 ' O ' HG12 ' A' ' 91' ' ' ILE . 31.8 tt0 -69.01 -33.09 73.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.561 -0.291 . . . . 71.030000000000001 110.75 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.5 -40.08 74.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.284 -0.416 . . . . 64.109999999999999 110.808 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 6.0 mm-40 -62.71 -32.77 73.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.09 -0.505 . . . . 61.229999999999997 110.318 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.751 ' HG3' ' HB2' ' A' ' 30' ' ' SER . 59.1 ttp -69.28 -51.95 32.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.879 -0.6 . . . . 72.219999999999999 110.915 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.602 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.8 pt -68.21 -39.81 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 116.197 -0.456 . . . . 65.329999999999998 112.201 -176.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 pp -64.53 -30.59 50.64 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 C-N-CA 120.326 -0.55 . . . . 73.230000000000004 110.456 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.657 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 74.8 t80 -65.56 -51.49 59.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.65 -0.705 . . . . 71.439999999999998 110.573 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.22 -28.36 63.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 70.5 111.731 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 72.4 mt -63.24 -51.23 67.07 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.152 -0.314 . . . . 51.530000000000001 110.152 175.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.6 m -58.42 -40.99 84.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 65.049999999999997 111.404 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.9 mt -56.97 -49.51 75.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.935 0.398 . . . . 62.530000000000001 110.554 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -70.68 -31.25 68.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.009 -0.541 . . . . 74.340000000000003 111.048 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -66.38 -30.34 70.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 73.239999999999995 110.502 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.0 tt . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 116.105 -0.498 . . . . 61.119999999999997 110.481 178.685 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 p30 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.295 -0.631 . . . . 72.439999999999998 109.295 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.3 m -104.4 24.15 12.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.877 0.37 . . . . 72.010000000000005 111.424 -174.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.1 m -116.44 110.45 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.349 -0.387 . . . . 72.349999999999994 110.362 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.522 ' HB2' ' SD ' ' A' ' 90' ' ' MET . 32.2 t -98.41 116.96 31.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.947 0.404 . . . . 65.140000000000001 110.552 -178.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -103.61 112.84 25.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.96 -0.564 . . . . 61.009999999999998 109.695 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -124.65 119.13 28.13 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.964 -0.562 . . . . 73.230000000000004 110.407 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.678 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 3.8 p -128.64 111.0 12.72 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.045 0.45 . . . . 74.040000000000006 110.979 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -119.38 151.32 38.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 73.409999999999997 110.373 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.495 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 81.6 m-85 -84.44 137.09 33.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.145 -0.479 . . . . 65.439999999999998 110.597 176.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -127.73 163.28 24.67 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.656 -0.702 . . . . 75.510000000000005 109.58 176.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.75 -56.97 14.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.4 0.437 . . . . 61.310000000000002 110.877 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.9 p -123.67 160.37 27.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.468 -0.333 . . . . 73.519999999999996 110.985 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.606 ' HG3' HG21 ' A' ' 69' ' ' ILE . 41.4 ttt180 -59.91 -31.7 70.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.205 0.526 . . . . 74.230000000000004 110.106 175.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.08 -50.62 73.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.545 -0.752 . . . . 72.129999999999995 110.605 176.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -54.28 -34.76 61.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.734 -0.666 . . . . 72.319999999999993 110.896 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.491 ' HB1' ' HB2' ' A' ' 78' ' ' LEU . . . -69.42 -52.89 22.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.707 -0.678 . . . . 74.109999999999999 110.985 -177.216 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.95 -31.82 72.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.372 -0.377 . . . . 62.399999999999999 111.198 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.7 m -67.87 -28.76 67.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 72.209999999999994 110.985 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.471 ' O ' HD23 ' A' ' 49' ' ' LEU . 86.1 t80 -72.6 -35.05 67.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.073 0.463 . . . . 65.140000000000001 109.789 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.591 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 35.9 tpp -63.43 -40.13 96.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.688 -0.687 . . . . 75.129999999999995 111.472 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.2 m -52.53 -50.79 62.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.446 0.536 . . . . 44.200000000000003 112.446 -173.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -71.48 -28.53 63.99 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.061 -0.256 . . . . 71.129999999999995 111.183 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.1 mm? -70.93 -36.16 72.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.587 -0.279 . . . . 71.299999999999997 111.03 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 46' ' ' MET . 41.1 mtpt -55.87 -48.74 75.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.926 0.393 . . . . 75.329999999999998 110.554 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.85 -41.52 82.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.553 -0.749 . . . . 72.129999999999995 110.722 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.5 mt -68.67 -43.17 76.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.693 -0.685 . . . . 74.040000000000006 110.751 -178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.22 97.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.42 -0.355 . . . . 62.310000000000002 111.18 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.423 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . . . -62.06 -35.54 78.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 74.439999999999998 111.427 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.41 -29.75 24.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.441 -0.345 . . . . 72.319999999999993 111.332 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.43 -37.23 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.398 -0.365 . . . . 74.030000000000001 110.829 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.429 ' HB2' ' CD2' ' A' ' 84' ' ' PHE . 34.4 t -86.02 115.34 23.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.234 -0.439 . . . . 73.299999999999997 110.433 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.5 m -79.76 19.97 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.087 0.47 . . . . 71.299999999999997 111.395 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.24 11.68 9.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.026 -0.534 . . . . 42.420000000000002 111.643 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 73.38 -54.73 0.69 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.554 0.742 . . . . 73.230000000000004 111.461 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -90.41 29.12 1.32 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.019 -0.537 . . . . 73.010000000000005 110.698 -175.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 54' ' ' ALA . . . 66.02 -133.06 34.04 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.991 -0.624 . . . . 53.439999999999998 112.067 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.52 178.24 7.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.852 0.358 . . . . 62.450000000000003 110.869 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.871 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 14.6 m -88.94 122.31 32.18 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.322 -0.622 . . . . 51.020000000000003 109.322 176.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.4 p -133.22 116.42 25.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.453 0.644 . . . . 74.219999999999999 111.214 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.34 122.71 38.45 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.578 -0.737 . . . . 63.439999999999998 109.517 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.51 ' HE2' HD11 ' A' ' 69' ' ' ILE . 18.0 p90 -120.59 135.98 54.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.256 0.551 . . . . 74.349999999999994 111.056 -177.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.47 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 36.2 mtmt -113.86 165.51 12.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.501 -0.772 . . . . 72.120000000000005 109.764 174.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.606 HG21 ' HG3' ' A' ' 39' ' ' ARG . 45.4 mt -137.21 111.44 9.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 115.518 -0.764 . . . . 35.130000000000003 110.427 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -105.94 99.31 8.91 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.891 0.853 . . . . 73.439999999999998 109.488 175.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.786 ' HA ' HG12 ' A' ' 76' ' ' VAL . 5.7 p-10 -75.5 107.88 7.93 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.939 -1.482 . . . . 64.319999999999993 109.434 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.0 mt -97.88 -169.99 1.91 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.271 -0.422 . . . . 73.150000000000006 110.398 -174.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -75.96 102.4 5.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.841 -0.618 . . . . 72.010000000000005 109.375 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.9 -62.11 1.92 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.971 -0.633 . . . . 63.149999999999999 112.312 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -105.71 171.52 7.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.581 0.229 . . . . 71.219999999999999 110.695 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.786 HG12 ' HA ' ' A' ' 71' ' ' ASP . 32.9 m -130.87 154.5 40.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.626 -0.261 . . . . 71.400000000000006 110.534 177.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -109.8 115.7 30.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.776 0.322 . . . . 44.219999999999999 110.368 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.678 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.4 tm? -91.44 114.18 26.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.706 -0.85 . . . . 53.140000000000001 108.706 176.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.475 ' O ' ' HA ' ' A' ' 67' ' ' TYR . 21.4 t70 -109.33 114.6 28.42 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.078 -0.51 . . . . 75.219999999999999 110.564 -176.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.52 133.11 56.4 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.322 -0.399 . . . . 53.32 111.542 -176.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.65 107.56 15.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.781 -0.645 . . . . 70.239999999999995 110.23 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -102.34 113.29 26.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.895 -0.593 . . . . 72.150000000000006 110.577 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.871 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 28.5 m -108.19 106.2 16.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.999 0.428 . . . . 73.310000000000002 110.308 177.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.429 ' CD2' ' HB2' ' A' ' 57' ' ' SER . 45.5 m-85 -91.84 154.12 19.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.818 -0.628 . . . . 74.430000000000007 110.122 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 m -75.49 -31.97 60.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.959 0.409 . . . . 52.140000000000001 111.087 -177.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.85 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 33.3 m -124.29 144.76 49.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.041 -0.527 . . . . 73.409999999999997 109.963 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -66.66 -32.43 73.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.359 . . . . 74.200000000000003 111.218 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.32 -37.77 75.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.29 -0.414 . . . . 74.140000000000001 110.484 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.85 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 4.2 mm-40 -67.37 -31.02 70.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.672 -0.694 . . . . 72.230000000000004 110.447 -178.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.522 ' SD ' ' HB2' ' A' ' 30' ' ' SER . 49.2 tpp -65.35 -54.16 33.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.025 0.441 . . . . 70.239999999999995 110.96 -179.049 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.595 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.3 pt -67.08 -39.14 82.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.164 -0.471 . . . . 45.409999999999997 112.078 -176.34 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 pp -69.18 -29.76 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.468 -0.493 . . . . 71.129999999999995 110.551 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.586 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 50.2 t80 -62.94 -52.23 63.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.957 -0.565 . . . . 74.409999999999997 110.554 176.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.55 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 3.5 pt-20 -69.55 -31.27 69.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.601 -0.272 . . . . 75.140000000000001 111.317 -177.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 73.2 mt -61.34 -44.83 96.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.919 0.39 . . . . 71.420000000000002 110.32 176.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.0 m -66.22 -22.99 66.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.043 -0.526 . . . . 64.409999999999997 110.691 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 79.6 mt -77.83 -30.65 51.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 110.781 177.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 94' ' ' GLU . 54.7 mtt180 -62.54 -50.94 69.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.187 -0.461 . . . . 74.019999999999996 111.436 -174.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.2 p -69.54 -28.27 65.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.112 0.482 . . . . 75.409999999999997 110.894 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.7 tt . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 115.71 -0.677 . . . . 74.120000000000005 110.066 176.046 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 p30 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 107.717 -1.216 . . . . 63.049999999999997 107.717 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.4 p -78.21 45.34 0.54 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.414 0.524 . . . . 70.219999999999999 112.414 -173.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 89.9 m -132.86 123.89 26.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.349 -0.387 . . . . 61.530000000000001 110.011 177.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.417 ' HB2' ' HG3' ' A' ' 90' ' ' MET . 11.6 t -97.31 135.54 39.08 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.429 -0.582 . . . . 73.299999999999997 109.429 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.447 ' NZ ' ' HB2' ' A' ' 81' ' ' ALA . 29.9 mmmt -112.51 143.61 43.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.108 -0.496 . . . . 63.420000000000002 111.352 -173.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -136.2 118.81 15.97 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.936 -0.764 . . . . 73.450000000000003 108.936 169.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 9.9 m -133.47 118.19 18.06 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.852 -0.425 . . . . 64.219999999999999 109.852 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -148.94 149.9 31.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.985 0.421 . . . . 71.099999999999994 111.275 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 4.6 m-85 -85.99 118.69 25.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.738 -0.665 . . . . 71.120000000000005 109.213 175.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 66.7 m-85 -104.72 155.88 18.49 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.203 -0.295 . . . . 73.120000000000005 110.203 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.99 -47.02 86.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.982 0.42 . . . . 74.129999999999995 111.515 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.83 161.61 34.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.226 -0.443 . . . . 44.109999999999999 110.251 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HA ' HG21 ' A' ' 76' ' ' VAL . 22.0 ttt180 -58.28 -33.06 69.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 65.5 110.918 177.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.27 -48.74 80.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.008 -0.542 . . . . 75.150000000000006 110.789 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 38.2 mm-40 -52.85 -34.07 52.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.566 -0.743 . . . . 72.230000000000004 110.49 176.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.611 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -76.11 -52.92 9.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.198 -0.91 . . . . 65.340000000000003 111.264 -178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.724 ' HG2' HD13 ' A' ' 69' ' ' ILE . 27.4 mt-10 -66.49 -31.94 72.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.376 -0.375 . . . . 64.329999999999998 111.646 -176.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.2 m -63.84 -35.2 79.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.728 0.299 . . . . 73.530000000000001 110.347 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.493 ' O ' HD23 ' A' ' 49' ' ' LEU . 32.2 t80 -76.51 -37.07 57.31 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.451 -0.574 . . . . 74.129999999999995 109.451 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.423 ' CE ' ' HA ' ' A' ' 46' ' ' MET . 1.7 tpt -61.81 -37.46 84.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.719 -0.673 . . . . 51.399999999999999 110.859 177.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.714 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 41.1 m -63.16 -51.39 66.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 74.040000000000006 111.579 -177.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -67.14 -28.86 68.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 73.409999999999997 111.021 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 45' ' ' PHE . 2.0 mm? -63.89 -34.62 78.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.412 -0.358 . . . . 74.200000000000003 110.873 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.714 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 32.0 mttt -60.96 -44.65 97.0 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.057 0.456 . . . . 71.219999999999999 110.47 176.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -65.92 -42.81 89.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.584 -0.734 . . . . 71.340000000000003 110.603 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.404 HD13 HD23 ' A' ' 97' ' ' LEU . 96.0 mt -65.74 -31.72 72.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.823 -0.626 . . . . 75.340000000000003 111.35 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.98 -34.69 78.56 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.262 0.553 . . . . 75.239999999999995 110.542 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.84 -30.52 66.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.768 -0.651 . . . . 32.520000000000003 110.646 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.93 -31.28 50.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.468 -0.333 . . . . 43.109999999999999 110.972 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.63 -53.33 6.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.386 -0.37 . . . . 63.030000000000001 111.86 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.9 m -114.82 -31.11 6.23 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.976 0.361 . . . . 54.549999999999997 111.976 -175.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.1 m 70.16 -71.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.541 -0.754 . . . . 64.329999999999998 109.794 -175.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 50.16 17.3 0.31 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.471 0.915 . . . . 63.240000000000002 113.471 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 66.86 -62.32 0.3 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.416 0.687 . . . . 70.299999999999997 111.816 -176.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -85.76 -24.69 26.77 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.056 0.455 . . . . 64.450000000000003 110.494 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.03 172.95 16.99 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.884 -0.674 . . . . 60.140000000000001 111.868 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.96 152.76 36.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.597 0.237 . . . . 65.340000000000003 110.421 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.623 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 69.5 m -70.27 103.22 2.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.24 -0.436 . . . . 64.239999999999995 110.789 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.1 p -100.43 120.33 49.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.494 0.664 . . . . 74.019999999999996 111.251 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . . . -105.28 99.76 9.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.179 -0.919 . . . . 72.010000000000005 108.714 172.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -111.23 150.62 29.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.043 0.449 . . . . 64.450000000000003 111.77 -172.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.477 ' HB2' ' HB3' ' A' ' 79' ' ' ASP . 91.2 mttt -134.4 138.37 44.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.423 -0.808 . . . . 65.319999999999993 110.233 169.102 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.724 HD13 ' HG2' ' A' ' 43' ' ' GLU . 59.1 mt -128.7 103.42 9.59 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 114.417 -1.265 . . . . 75.349999999999994 108.34 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.564 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 81.4 tttt -111.08 119.06 37.75 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.038 -0.528 . . . . 74.150000000000006 111.25 -171.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.644 ' HA ' HG12 ' A' ' 76' ' ' VAL . 7.5 m-20 -82.12 108.44 15.6 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.003 -0.999 . . . . 72.430000000000007 110.229 -178.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.0 mt -104.63 -179.85 4.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.937 0.399 . . . . 61.240000000000002 109.967 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -88.67 103.84 16.31 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.065 0.459 . . . . 73.319999999999993 110.32 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.25 -5.93 65.77 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 115.728 -0.669 . . . . 72.129999999999995 112.632 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -167.05 178.72 5.56 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.756 -0.461 . . . . 65.439999999999998 109.756 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 71' ' ' ASP . 27.1 m -138.74 157.25 29.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.814 0.34 . . . . 54.210000000000001 110.661 176.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.564 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 6.0 tp10 -102.6 114.53 28.83 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.809 -0.632 . . . . 71.329999999999998 109.379 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.611 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.2 tm? -102.11 114.48 28.64 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.691 -0.855 . . . . 71.310000000000002 108.691 176.371 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.477 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 26.9 t70 -122.43 111.52 16.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.052 -0.522 . . . . 63.240000000000002 110.706 -176.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.62 140.75 47.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.827 -0.624 . . . . 52.409999999999997 111.037 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . . . -140.29 106.91 5.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.828 -0.624 . . . . 54.509999999999998 110.149 177.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 29' ' ' THR . 78.9 m-85 -104.04 112.56 25.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.911 0.386 . . . . 72.239999999999995 110.792 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.623 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 96.8 m -91.97 122.17 34.24 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.888 -0.596 . . . . 73.519999999999996 109.861 176.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.443 ' HZ ' ' CD2' ' A' ' 93' ' ' PHE . 64.1 m-85 -107.47 -174.25 2.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.683 -0.69 . . . . 71.129999999999995 109.825 -177.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.2 m -69.87 -44.85 68.96 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.139 0.495 . . . . 44.119999999999997 110.225 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 34.8 t -148.78 179.47 7.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.428 -0.582 . . . . 55.210000000000001 109.428 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.563 ' O ' HG12 ' A' ' 91' ' ' ILE . 32.0 tt0 -75.03 -17.09 60.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.641 0.258 . . . . 72.510000000000005 111.238 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.88 -50.5 73.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.905 0.384 . . . . 63.020000000000003 110.637 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.402 ' HG3' ' HB3' ' A' ' 84' ' ' PHE . 2.1 pm0 -74.74 -26.0 59.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.209 -0.451 . . . . 72.200000000000003 111.045 176.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.54 ' HB3' ' HA ' ' A' ' 87' ' ' GLN . 19.3 ttt -60.69 -56.87 16.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.193 -0.458 . . . . 70.219999999999999 111.43 177.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.708 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 17.9 pt -63.27 -44.84 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 112.086 0.402 . . . . 65.230000000000004 112.086 -174.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.513 ' HA ' HD12 ' A' ' 95' ' ' LEU . 2.8 pp -64.79 -29.72 48.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.753 0.311 . . . . 60.399999999999999 111.179 -177.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.589 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 69.2 t80 -64.7 -51.57 61.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.046 -0.524 . . . . 72.430000000000007 110.825 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.402 ' HA ' HD12 ' A' ' 97' ' ' LEU . 6.2 pt-20 -72.9 -27.54 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 73.109999999999999 111.701 -177.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 97.6 mt -56.65 -50.5 71.87 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.213 0.53 . . . . 72.430000000000007 109.594 173.098 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 100' ' ' LEU . 62.1 m -62.72 -40.67 97.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.487 -0.779 . . . . 64.140000000000001 111.47 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.3 mt -53.24 -48.46 68.19 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.996 0.427 . . . . 73.120000000000005 111.233 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 98' ' ' ARG . 56.3 mtt180 -77.23 -38.28 51.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.53 -0.759 . . . . 73.409999999999997 111.788 -171.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 61.6 m -74.68 -22.0 59.11 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.905 0.383 . . . . 63.409999999999997 111.62 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 96' ' ' SER . 13.5 tp . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 120.94 0.4 . . . . 74.329999999999998 111.153 -176.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.4 p30 . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 109.717 -0.475 . . . . 70.209999999999994 109.717 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.2 m -98.57 13.4 32.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.0 0.429 . . . . 52.210000000000001 111.838 -175.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 m -100.2 123.13 44.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.983 0.421 . . . . 52.240000000000002 109.953 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.624 ' HB3' ' HB2' ' A' ' 82' ' ' PHE . 14.0 t -98.61 105.13 17.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.789 0.328 . . . . 72.530000000000001 110.343 -176.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -101.3 121.86 42.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.975 -0.557 . . . . 54.539999999999999 110.245 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.419 ' CE2' ' HB2' ' A' ' 34' ' ' ARG . 68.0 t80 -124.3 117.55 24.78 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.242 -0.651 . . . . 71.140000000000001 109.242 174.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -125.68 106.72 9.93 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.761 -0.459 . . . . 73.219999999999999 109.761 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.419 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 1.8 tmt_? -132.51 144.63 50.57 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.753 -0.462 . . . . 73.540000000000006 109.753 -174.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.501 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 78.8 m-85 -94.86 130.5 41.43 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.277 -0.419 . . . . 74.340000000000003 109.964 178.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.501 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 80.7 m-85 -120.97 156.75 31.43 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.65 -0.25 . . . . 72.439999999999998 110.794 -178.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.75 -49.27 58.39 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.849 0.718 . . . . 61.409999999999997 112.138 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.4 p -135.26 168.5 19.07 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.601 -0.272 . . . . 72.109999999999999 110.364 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.682 ' HA ' HG21 ' A' ' 76' ' ' VAL . 20.3 ptp180 -66.26 -19.6 65.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.323 0.582 . . . . 75.409999999999997 109.511 177.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -62.61 -49.51 74.92 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.224 -0.898 . . . . 73.040000000000006 110.145 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.501 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 20.5 mm-40 -58.1 -29.66 65.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.856 -1.065 . . . . 71.239999999999995 110.944 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.603 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -68.78 -48.66 63.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.834 -0.621 . . . . 72.340000000000003 110.111 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -63.04 -38.4 91.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.76 -0.655 . . . . 61.210000000000001 110.823 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -60.83 -38.58 85.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.415 -0.357 . . . . 65.420000000000002 111.255 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.515 ' O ' HD23 ' A' ' 49' ' ' LEU . 50.5 t80 -71.89 -39.41 69.59 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.511 -0.551 . . . . 73.310000000000002 109.511 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.451 ' O ' ' HD3' ' A' ' 50' ' ' LYS . 40.3 tpp -67.7 -29.92 69.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.885 -0.598 . . . . 75.349999999999994 111.072 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.9 m -59.81 -48.48 81.5 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 120.696 0.284 . . . . 75.349999999999994 111.335 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -73.14 -27.18 61.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.13 0.491 . . . . 64.430000000000007 110.724 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 45' ' ' PHE . 1.2 mm? -63.26 -34.62 78.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.642 -0.708 . . . . 74.129999999999995 111.059 175.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 46' ' ' MET . 1.8 mptm? -53.76 -49.29 68.54 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.892 0.377 . . . . 72.540000000000006 110.792 176.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -61.04 -47.51 86.07 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.624 -0.716 . . . . 73.430000000000007 110.656 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.677 HD11 HD22 ' A' ' 100' ' ' LEU . 96.7 mt -63.08 -50.09 71.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.32 -0.855 . . . . 75.109999999999999 111.496 -176.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.65 -37.58 76.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 64.299999999999997 111.238 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.75 78.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 73.329999999999998 111.556 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.38 -29.99 23.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.338 -0.392 . . . . 52.200000000000003 111.677 -177.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.49 -52.13 9.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.186 0.439 . . . . 70.329999999999998 112.186 -175.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.1 t -77.95 141.11 39.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.158 0.504 . . . . 72.349999999999994 111.395 -173.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.6 p -72.87 -11.64 60.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.575 -0.739 . . . . 62.200000000000003 110.472 175.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.96 -13.56 60.53 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.076 -0.511 . . . . 63.409999999999997 109.967 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.2 t70 72.63 -37.63 0.39 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.216 -0.902 . . . . 73.150000000000006 112.503 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -86.13 5.13 35.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.654 0.264 . . . . 75.400000000000006 111.566 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.8 8.95 60.25 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.834 -0.698 . . . . 63.520000000000003 112.97 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.488 ' HB1' ' O ' ' A' ' 83' ' ' THR . . . 64.82 -162.02 0.27 Allowed 'General case' 0 C--O 1.234 0.27 0 C-N-CA 122.665 0.386 . . . . 72.140000000000001 110.864 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.522 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 19.9 m -66.75 108.86 2.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.065 -0.346 . . . . 73.519999999999996 110.065 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -117.36 124.48 73.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.313 0.578 . . . . 61.350000000000001 111.214 -177.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.24 143.34 35.93 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.645 -0.707 . . . . 75.5 109.142 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -154.5 152.9 30.64 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.534 -0.466 . . . . 72.109999999999999 110.939 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 47.0 mtmt -131.65 160.14 36.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.759 -0.655 . . . . 74.219999999999999 110.463 175.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.42 HG12 HD23 ' A' ' 78' ' ' LEU . 63.3 mt -132.24 104.52 7.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.928 -1.033 . . . . 75.510000000000005 109.291 176.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -98.8 123.78 43.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.971 0.415 . . . . 75.549999999999997 110.039 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.664 ' HA ' HG12 ' A' ' 76' ' ' VAL . 8.1 p-10 -76.17 131.82 39.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.697 -0.683 . . . . 63.240000000000002 110.74 -177.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.5 mt -126.12 -172.78 2.69 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.468 -0.567 . . . . 55.420000000000002 109.468 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.56 106.34 16.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.057 0.456 . . . . 75.209999999999994 109.917 -179.233 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.67 -1.61 88.71 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.653 -0.703 . . . . 62.130000000000003 113.007 175.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -163.18 169.92 18.57 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.934 -0.395 . . . . 64.400000000000006 109.934 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.682 HG21 ' HA ' ' A' ' 39' ' ' ARG . 27.7 m -130.89 160.89 41.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.611 -0.268 . . . . 73.140000000000001 110.553 177.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -102.24 114.26 28.26 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.106 -0.497 . . . . 74.430000000000007 110.339 176.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.603 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.2 tm? -95.34 111.42 23.29 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.186 -1.042 . . . . 74.200000000000003 108.186 174.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -118.13 106.1 12.51 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.894 -0.594 . . . . 75.019999999999996 110.005 -175.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.03 134.9 50.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.105 -0.498 . . . . 64.140000000000001 111.394 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.94 110.04 13.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.601 -0.727 . . . . 53.0 110.437 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.624 ' HB2' ' HB3' ' A' ' 30' ' ' SER . 92.5 m-85 -109.92 151.84 26.57 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.755 -0.461 . . . . 75.549999999999997 109.755 176.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.522 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 37.5 m -137.5 103.88 5.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.632 -0.507 . . . . 61.43 109.632 174.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.59 ' HB3' ' HG3' ' A' ' 89' ' ' GLU . 97.7 m-85 -88.88 162.38 16.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.804 -0.635 . . . . 73.340000000000003 111.46 -171.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.3 m -69.54 -32.48 71.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.64 -0.709 . . . . 64.120000000000005 110.918 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 53.2 t -144.38 155.8 43.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.23 -0.441 . . . . 71.150000000000006 110.277 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.642 ' HA ' ' HB3' ' A' ' 90' ' ' MET . 42.1 tt0 -67.5 -21.85 65.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.383 -0.371 . . . . 73.420000000000002 110.674 177.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.46 -45.06 81.05 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.418 -0.355 . . . . 71.239999999999995 110.752 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.59 ' HG3' ' HB3' ' A' ' 84' ' ' PHE . 7.0 pt-20 -82.03 -26.0 34.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 73.349999999999994 110.722 178.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.642 ' HB3' ' HA ' ' A' ' 87' ' ' GLN . 13.3 tpt -62.48 -56.91 13.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.008 -0.542 . . . . 72.120000000000005 111.366 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.568 HG12 ' O ' ' A' ' 87' ' ' GLN . 24.6 pt -59.83 -45.8 94.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.457 -0.338 . . . . 74.420000000000002 111.805 -175.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.439 ' N ' HG13 ' A' ' 91' ' ' ILE . 2.8 pp -68.76 -29.65 44.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.51 0.195 . . . . 61.25 111.072 -176.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.596 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 92.6 t80 -65.8 -52.4 51.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.538 -0.301 . . . . 71.109999999999999 110.823 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -73.15 -28.74 62.4 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.892 -0.323 . . . . 70.150000000000006 111.169 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.3 mt -65.83 -46.66 77.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.929 0.395 . . . . 62.310000000000002 109.941 173.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 100' ' ' LEU . 10.9 t -66.86 -22.6 65.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.972 -0.558 . . . . 74.299999999999997 111.33 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.1 mt -62.02 -50.51 71.73 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.369 0.604 . . . . 75.420000000000002 109.949 174.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -72.28 -29.79 64.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.168 -0.924 . . . . 54.340000000000003 110.922 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.9 m -97.8 8.49 44.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.951 -0.568 . . . . 64.400000000000006 112.448 -173.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.677 HD22 HD11 ' A' ' 52' ' ' LEU . 29.7 tp . . . . . 0 C--N 1.327 -0.407 0 CA-C-O 121.351 0.596 . . . . 64.409999999999997 109.987 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 . . . . . 0 N--CA 1.456 -0.157 0 N-CA-C 109.401 -0.592 . . . . 64.319999999999993 109.401 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.6 m -83.73 -16.92 43.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.675 0.75 . . . . 63.409999999999997 109.532 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.6 m -104.41 121.48 43.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.1 -0.954 . . . . 44.200000000000003 109.93 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t -105.4 133.6 49.89 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.657 -0.497 . . . . 44.140000000000001 109.657 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 3.0 mmmp? -99.35 112.35 24.55 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.647 -0.501 . . . . 74.420000000000002 109.647 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.581 ' HE2' ' HE2' ' A' ' 45' ' ' PHE . 84.7 t80 -115.37 119.95 37.97 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.866 -0.606 . . . . 72.439999999999998 110.211 -175.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 9.4 p -115.18 139.82 49.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.552 0.692 . . . . 51.43 111.388 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -139.03 144.55 38.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.135 -0.939 . . . . 61.310000000000002 109.555 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -115.15 129.65 56.72 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.016 0.436 . . . . 71.019999999999996 110.401 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -131.73 174.02 10.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.624 -0.716 . . . . 52.009999999999998 110.561 -176.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.26 -58.01 5.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.89 -0.595 . . . . 64.329999999999998 110.857 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 49.1 p -122.86 160.47 26.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.519 -0.31 . . . . 62.409999999999997 110.543 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.731 ' HG3' HG21 ' A' ' 69' ' ' ILE . 32.7 ttt180 -55.27 -32.17 62.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.094 0.473 . . . . 71.310000000000002 110.264 175.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -54.74 -52.27 63.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.52 -0.764 . . . . 73.150000000000006 110.436 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.97 -29.05 69.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.047 -0.979 . . . . 72.129999999999995 110.555 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.51 -48.41 22.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.768 -0.651 . . . . 62.119999999999997 110.825 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.37 -25.67 66.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 73.530000000000001 110.706 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.2 m -65.05 -28.74 69.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 64.400000000000006 110.865 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.581 ' HE2' ' HE2' ' A' ' 32' ' ' PHE . 38.3 t80 -79.27 -34.78 42.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.293 0.568 . . . . 63.229999999999997 109.513 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 37.4 tpp -65.29 -36.25 83.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.514 -0.766 . . . . 75.319999999999993 111.412 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.5 m -56.17 -52.0 65.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.482 -0.327 . . . . 53.030000000000001 111.805 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -72.57 -28.74 63.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.904 0.383 . . . . 72.439999999999998 111.417 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.472 HD12 ' HZ ' ' A' ' 93' ' ' PHE . 3.4 mm? -69.94 -24.98 63.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.437 -0.347 . . . . 75.519999999999996 111.219 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -56.92 -44.09 82.06 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.053 0.454 . . . . 70.120000000000005 110.861 176.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -63.14 -44.95 94.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.63 -0.714 . . . . 71.209999999999994 110.355 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.405 HD12 HD13 ' A' ' 49' ' ' LEU . 88.8 mt -64.82 -42.67 94.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.257 -0.883 . . . . 60.109999999999999 111.245 -177.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.27 -43.11 99.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.697 0.284 . . . . 65.030000000000001 111.479 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.29 83.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.992 0.425 . . . . 75.25 110.832 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.06 -35.58 80.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.962 -0.563 . . . . 43.43 110.801 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 93' ' ' PHE . . . -64.14 -48.82 74.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.692 -0.685 . . . . 65.319999999999993 111.128 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.575 ' HA ' ' HB3' ' A' ' 89' ' ' GLU . 9.3 t -64.45 -24.18 67.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.127 0.489 . . . . 44.020000000000003 110.066 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.1 m 66.3 8.98 6.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.452 -0.794 . . . . 52.409999999999997 111.621 174.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -101.64 19.67 17.63 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.058 -0.519 . . . . 63.229999999999997 111.396 -175.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 66.84 -73.19 0.08 Allowed 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.75 0.656 . . . . 73.200000000000003 111.372 177.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -99.51 -21.43 15.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.493 -0.776 . . . . 73.319999999999993 110.313 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.94 115.73 8.28 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.549 -0.75 . . . . 73.140000000000001 112.588 -178.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.05 124.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 122.715 0.406 . . . . 71.239999999999995 109.965 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.64 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 68.9 m -119.87 119.65 34.16 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.819 -0.437 . . . . 73.420000000000002 109.819 176.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -134.1 115.87 21.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.545 0.688 . . . . 54.409999999999997 111.278 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -108.49 96.54 6.42 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.002 -0.74 . . . . 55.100000000000001 109.002 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 38.2 p90 -106.38 135.6 47.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.392 0.615 . . . . 72.409999999999997 111.245 -175.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -111.58 139.0 47.38 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.088 -0.96 . . . . 54.009999999999998 109.401 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.731 HG21 ' HG3' ' A' ' 39' ' ' ARG . 26.4 mt -122.76 106.81 18.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.865 -0.607 . . . . 60.229999999999997 109.449 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.642 ' HB3' ' HG2' ' A' ' 77' ' ' GLU . 49.2 tptt -100.87 116.39 32.64 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.349 -0.54 . . . . 71.439999999999998 110.363 -176.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.743 ' HA ' HG12 ' A' ' 76' ' ' VAL . 4.7 m-20 -75.22 103.67 5.48 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.899 -1.046 . . . . 73.409999999999997 109.192 176.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.4 mt -97.78 -169.69 1.87 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.818 -0.628 . . . . 74.099999999999994 110.958 -173.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' A' ' 73' ' ' GLU . 5.8 pt-20 -89.85 101.55 14.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.448 -0.796 . . . . 60.32 110.687 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.01 -11.0 73.5 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.673 -0.694 . . . . 51.43 112.645 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -156.52 179.0 9.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.751 -0.463 . . . . 74.340000000000003 109.751 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.743 HG12 ' HA ' ' A' ' 71' ' ' ASP . 29.8 m -137.03 154.91 31.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 110.065 -0.346 . . . . 62.25 110.065 174.184 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.642 ' HG2' ' HB3' ' A' ' 70' ' ' LYS . 12.8 pt-20 -113.89 126.12 54.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.625 0.726 . . . . 73.439999999999998 110.218 174.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -97.45 107.73 20.31 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.673 -1.148 . . . . 73.450000000000003 107.923 174.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -113.57 100.08 8.23 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.531 -0.759 . . . . 73.519999999999996 109.563 -173.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -108.49 124.57 50.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.162 0.506 . . . . 51.140000000000001 111.884 -174.05 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.28 101.01 12.47 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.661 -0.7 . . . . 65.209999999999994 110.036 172.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -90.09 117.21 28.69 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.695 -0.483 . . . . 75.010000000000005 109.695 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.64 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 10.0 m -109.56 105.32 14.58 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.039 -0.528 . . . . 61.25 110.413 -176.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.415 ' HB3' ' HB2' ' A' ' 89' ' ' GLU . 99.2 m-85 -96.72 157.02 16.1 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.813 -0.63 . . . . 55.520000000000003 109.813 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.1 m -83.41 -16.21 46.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.211 0.529 . . . . 74.219999999999999 110.387 -177.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.575 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 21.6 m -134.19 141.24 46.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.14 -0.689 . . . . 74.0 109.14 174.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.572 ' O ' HG12 ' A' ' 91' ' ' ILE . 29.3 tt0 -65.6 -27.02 68.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.784 0.326 . . . . 71.129999999999995 110.25 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.79 77.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.93 -0.577 . . . . 74.409999999999997 110.467 175.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.575 ' HB3' ' HA ' ' A' ' 57' ' ' SER . 45.7 mt-10 -65.86 -31.75 72.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.817 -0.629 . . . . 70.439999999999998 110.32 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -72.72 -49.85 28.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.688 -0.687 . . . . 63.439999999999998 110.638 -178.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.613 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 7.6 pt -67.6 -38.63 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.16 0.43 . . . . 63.219999999999999 112.16 -176.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 pp -65.95 -30.28 49.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 121.059 0.457 . . . . 71.439999999999998 110.144 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.578 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 53.9 t80 -68.91 -50.5 49.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.532 -0.758 . . . . 73.409999999999997 109.808 175.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.593 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 77.2 mm-40 -56.71 -38.34 72.19 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.578 -0.737 . . . . 73.099999999999994 112.08 178.133 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 82.9 mt -59.92 -53.46 57.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.657 -0.247 . . . . 72.200000000000003 110.992 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.1 m -60.72 -34.52 74.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.578 -0.283 . . . . 73.0 110.931 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 74.7 mt -63.09 -40.83 98.81 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.966 0.412 . . . . 74.049999999999997 110.663 177.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.593 ' NH1' ' HB3' ' A' ' 94' ' ' GLU . 48.5 mtt85 -67.95 -40.73 83.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.915 -0.584 . . . . 75.439999999999998 111.049 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.0 m -64.59 -34.67 78.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.003 0.43 . . . . 64.439999999999998 110.935 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.5 tp . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.109 0.481 . . . . 74.420000000000002 110.58 179.563 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.0 p30 . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.528 -0.545 . . . . 63.229999999999997 109.528 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 67.1 m -104.97 13.25 31.3 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.033 0.444 . . . . 71.420000000000002 110.474 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.531 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 34.7 m -105.59 120.34 41.41 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.743 -0.662 . . . . 52.130000000000003 110.478 177.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.553 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 38.0 t -98.04 125.37 42.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.849 0.357 . . . . 65.549999999999997 110.383 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -100.57 112.02 24.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.766 -0.652 . . . . 62.310000000000002 109.585 174.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -120.58 117.89 28.77 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.038 -0.528 . . . . 74.310000000000002 110.116 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -115.24 113.38 23.81 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.183 -0.462 . . . . 74.150000000000006 109.909 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HD3' ' N ' ' A' ' 35' ' ' PHE . 1.5 tmt_? -123.23 134.94 54.08 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.423 -0.584 . . . . 73.040000000000006 109.423 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.425 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 78.2 m-85 -92.59 128.73 38.55 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.81 -0.632 . . . . 71.299999999999997 110.379 -178.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -121.14 169.06 10.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.249 -0.432 . . . . 74.019999999999996 110.323 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.58 -57.9 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.36 -0.382 . . . . 74.340000000000003 111.135 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.0 p -120.75 165.1 15.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.374 -0.376 . . . . 62.130000000000003 111.401 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -66.37 -21.97 66.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.439 0.638 . . . . 75.420000000000002 109.616 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -67.59 -45.67 74.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.302 -0.863 . . . . 71.329999999999998 109.88 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.99 -28.24 66.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.296 -0.865 . . . . 71.109999999999999 110.606 175.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.568 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -74.04 -51.41 15.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.835 -0.621 . . . . 71.030000000000001 110.82 -179.003 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.54 -36.67 83.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.044 -0.526 . . . . 70.209999999999994 111.165 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.9 m -65.71 -28.4 69.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.227 -0.442 . . . . 75.109999999999999 111.022 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.414 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 76.2 t80 -79.76 -44.62 20.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.952 0.405 . . . . 62.229999999999997 110.032 178.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.429 ' HA ' ' HB2' ' A' ' 49' ' ' LEU . 34.8 tpp -69.12 -39.13 79.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.937 -0.574 . . . . 61.229999999999997 111.863 -175.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 54.9 m -60.15 -44.79 94.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.587 0.232 . . . . 73.310000000000002 111.498 -178.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -74.22 -26.79 60.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.822 0.344 . . . . 55.450000000000003 110.39 177.44 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.457 HD13 HD12 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -61.75 -29.66 70.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.407 -0.36 . . . . 64.200000000000003 110.737 175.042 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HE2' HG11 ' A' ' 65' ' ' VAL . 2.2 mptm? -60.4 -34.66 74.23 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.259 -0.428 . . . . 71.340000000000003 110.66 175.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.52 -43.14 90.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.299 0.571 . . . . 61.310000000000002 110.139 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.633 HD11 HD13 ' A' ' 100' ' ' LEU . 92.1 mt -62.66 -50.17 72.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.348 -0.842 . . . . 61.530000000000001 111.074 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.32 92.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 60.43 111.467 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.44 ' HA ' ' HA3' ' A' ' 62' ' ' GLY . . . -61.57 -42.31 98.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 44.340000000000003 111.384 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.67 -26.83 37.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.253 -0.43 . . . . 73.120000000000005 111.342 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.14 -53.43 11.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.35 -0.386 . . . . 72.5 111.262 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.505 ' HB3' ' HA2' ' A' ' 62' ' ' GLY . 48.3 t -88.17 -66.46 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.458 -0.337 . . . . 71.409999999999997 110.865 -177.103 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m 68.28 16.64 9.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.444 -0.798 . . . . 53.009999999999998 112.084 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.95 -78.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.689 0.281 . . . . 51.310000000000002 110.818 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -100.19 -62.1 1.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.403 0.62 . . . . 72.140000000000001 109.536 173.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -125.56 -19.69 4.92 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.123 -0.944 . . . . 71.530000000000001 109.104 173.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.505 ' HA2' ' HB3' ' A' ' 57' ' ' SER . . . 137.09 71.61 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.509 -0.853 . . . . 64.340000000000003 112.434 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 63.84 -173.6 0.17 Allowed 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 122.857 0.463 . . . . 74.049999999999997 111.623 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.418 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 70.9 m -110.19 122.66 48.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.834 -0.621 . . . . 51.420000000000002 109.86 176.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.432 HG11 ' HE2' ' A' ' 50' ' ' LYS . 4.7 p -107.2 117.31 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.653 0.74 . . . . 42.439999999999998 111.814 -178.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.85 98.81 6.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.301 -0.863 . . . . 64.0 109.242 172.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -121.19 158.55 27.78 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.712 -0.395 . . . . 75.129999999999995 110.448 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -135.87 162.94 31.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.808 -0.633 . . . . 75.019999999999996 111.317 174.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.2 mt -127.57 104.94 13.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.613 -1.176 . . . . 73.219999999999999 108.981 175.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.758 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 88.3 tttt -92.86 118.38 31.06 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.059 0.457 . . . . 55.310000000000002 110.082 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -77.12 106.8 9.06 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.162 -0.926 . . . . 51.210000000000001 109.501 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 94.7 mt -101.33 -174.62 2.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.238 -0.437 . . . . 75.349999999999994 110.57 -176.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -94.95 99.6 11.59 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.098 0.475 . . . . 73.329999999999998 110.393 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.3 6.55 68.54 Favored Glycine 0 CA--C 1.515 0.085 0 CA-C-N 115.762 -0.654 . . . . 75.219999999999999 112.419 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 18.9 pt20 -170.79 179.47 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.328 -0.619 . . . . 74.25 109.328 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.9 m -137.41 154.81 30.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.844 0.354 . . . . 73.239999999999995 110.443 175.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.758 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 28.7 tt0 -104.56 113.47 27.06 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.931 -0.577 . . . . 75.329999999999998 110.014 177.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.568 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.1 tm? -93.43 109.1 20.68 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.146 -1.057 . . . . 51.0 108.146 174.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -113.17 112.02 23.08 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.723 -0.671 . . . . 75.439999999999998 110.029 -173.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.47 136.32 52.11 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.916 0.389 . . . . 73.239999999999995 111.473 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.553 ' HA ' ' O ' ' A' ' 30' ' ' SER . . . -129.39 106.82 9.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.794 -0.639 . . . . 71.120000000000005 109.815 172.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.531 ' O ' ' HA ' ' A' ' 29' ' ' THR . 91.4 m-85 -105.56 116.39 31.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.953 -0.567 . . . . 75.329999999999998 110.475 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.418 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 82.6 m -97.58 107.57 20.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.207 -0.451 . . . . 71.010000000000005 110.278 176.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.409 ' HB3' ' HB2' ' A' ' 89' ' ' GLU . 97.6 m-85 -90.76 171.76 9.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.96 -0.564 . . . . 52.43 110.53 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.71 -46.83 43.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.406 0.622 . . . . 64.030000000000001 109.852 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 81.5 m -134.35 158.97 42.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.445 -0.798 . . . . 74.510000000000005 109.791 175.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.485 ' O ' HG12 ' A' ' 91' ' ' ILE . 23.4 tt0 -60.55 -23.21 64.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.376 -0.375 . . . . 71.319999999999993 111.818 -177.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.63 74.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.816 0.341 . . . . 54.299999999999997 111.135 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 12.0 mt-10 -73.16 -28.69 62.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 71.340000000000003 110.65 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 56.8 ttp -75.26 -46.62 32.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 64.329999999999998 110.852 -177.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.513 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 16.4 pt -63.98 -40.86 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.482 -0.326 . . . . 74.200000000000003 111.841 -178.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 44.0 pt -66.59 -31.55 54.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.975 0.417 . . . . 62.409999999999997 110.492 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.597 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 79.1 t80 -67.61 -47.91 68.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.795 -0.638 . . . . 71.439999999999998 110.109 178.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -56.38 -44.31 80.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.555 . . . . 72.049999999999997 111.191 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 86.8 mt -62.25 -45.59 92.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 73.439999999999998 110.503 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.8 m -61.84 -32.8 73.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.04 -0.527 . . . . 75.219999999999999 111.303 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 93.8 mt -61.87 -47.01 86.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.022 0.439 . . . . 75.239999999999995 110.503 176.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -65.54 -39.71 92.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.901 -0.59 . . . . 74.400000000000006 110.439 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.9 m -71.41 -10.21 59.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 75.439999999999998 111.677 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.633 HD13 HD11 ' A' ' 52' ' ' LEU . 10.1 tt . . . . . 0 C--N 1.325 -0.462 0 CA-C-O 120.836 0.35 . . . . 74.530000000000001 110.125 178.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.552 ' N ' HD21 ' A' ' 27' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 109.486 -0.561 . . . . 70.450000000000003 109.486 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.5 m -104.59 66.02 0.78 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.221 0.534 . . . . 73.430000000000007 109.637 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 89.8 m -144.38 126.48 15.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.717 -0.674 . . . . 72.230000000000004 111.753 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.1 m -96.92 105.41 17.55 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.107 -0.951 . . . . 73.319999999999993 109.513 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.71 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -98.67 113.99 26.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.877 0.846 . . . . 74.200000000000003 109.77 178.439 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -116.15 118.1 31.9 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.659 -1.155 . . . . 54.420000000000002 110.522 -176.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 5.7 m -118.79 118.12 30.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.065 -0.516 . . . . 55.409999999999997 109.924 177.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' A' ' 35' ' ' PHE . 2.3 tmt_? -142.81 141.96 31.76 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.501 -0.555 . . . . 71.420000000000002 109.501 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.413 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 92.5 m-85 -88.08 136.25 33.06 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.177 -0.465 . . . . 72.549999999999997 109.994 -178.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.557 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 64.9 m-85 -123.99 164.03 20.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.677 -0.238 . . . . 71.099999999999994 110.591 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.588 ' O ' ' HA ' ' A' ' 75' ' ' GLN . . . -56.21 -50.04 72.37 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.74 0.65 . . . . 73.450000000000003 112.107 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.1 p -140.86 170.92 14.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.423 -0.353 . . . . 64.420000000000002 110.635 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.462 ' HA ' HG21 ' A' ' 76' ' ' VAL . 19.3 ptt180 -58.95 -28.37 66.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.156 0.503 . . . . 72.5 110.105 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.47 -44.94 95.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.586 -0.734 . . . . 62.200000000000003 110.977 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.561 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 51.8 mm-40 -60.41 -28.83 68.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.189 -0.914 . . . . 71.310000000000002 110.592 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.704 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -70.43 -50.81 34.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.767 -0.651 . . . . 61.009999999999998 110.291 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.57 -35.34 75.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.882 -0.599 . . . . 71.209999999999994 110.721 175.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.6 m -65.05 -28.53 69.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.602 -0.726 . . . . 75.25 111.708 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.494 ' O ' HD23 ' A' ' 49' ' ' LEU . 56.2 t80 -85.52 -29.75 23.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.128 0.489 . . . . 73.200000000000003 110.08 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.634 ' HG3' ' HE3' ' A' ' 50' ' ' LYS . 32.5 tpp -73.03 -41.12 64.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.738 -0.664 . . . . 73.310000000000002 112.071 -173.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.921 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 18.9 m -53.35 -56.0 20.32 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.386 0.513 . . . . 74.409999999999997 112.386 -174.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -67.96 -27.42 66.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.888 0.375 . . . . 53.439999999999998 111.629 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 45' ' ' PHE . 3.5 mm? -70.88 -29.04 65.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.523 -0.308 . . . . 73.25 111.132 177.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.921 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 34.1 mttt -59.1 -42.31 90.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.027 0.441 . . . . 73.340000000000003 110.676 175.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.68 -41.45 95.13 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.555 -0.748 . . . . 55.039999999999999 110.051 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.88 -44.7 65.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.298 -0.864 . . . . 73.230000000000004 111.325 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.38 97.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 72.239999999999995 111.841 -176.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.28 90.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.969 0.414 . . . . 74.129999999999995 111.251 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.05 -17.54 59.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.024 -0.535 . . . . 65.120000000000005 111.277 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.01 -36.7 80.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.186 -0.461 . . . . 63.140000000000001 111.207 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.588 ' HB2' ' HA2' ' A' ' 62' ' ' GLY . 46.5 m -102.64 -25.75 13.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.637 0.256 . . . . 52.539999999999999 111.312 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.4 m 70.02 -17.51 0.25 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.093 0.775 . . . . 70.120000000000005 113.093 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.28 71.47 4.75 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.223 -0.298 . . . . 70.530000000000001 111.533 -177.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 59.04 -85.42 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.686 0.795 . . . . 73.010000000000005 112.348 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -82.77 -20.9 34.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.604 -0.725 . . . . 63.130000000000003 110.329 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.588 ' HA2' ' HB2' ' A' ' 57' ' ' SER . . . 89.41 -99.07 2.52 Favored Glycine 0 N--CA 1.441 -0.994 0 N-CA-C 109.634 -1.386 . . . . 72.420000000000002 109.634 -169.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 83' ' ' THR . . . -167.36 -168.54 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.553 -0.165 . . . . 55.329999999999998 110.553 173.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.429 ' HB2' ' OG1' ' A' ' 83' ' ' THR . 67.7 m -56.39 125.07 20.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.643 0.608 . . . . 53.549999999999997 112.643 -174.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 p -123.45 115.25 44.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.543 0.687 . . . . 73.340000000000003 109.619 172.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.07 115.34 15.66 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.554 -0.748 . . . . 73.420000000000002 109.592 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.548 ' HA ' ' O ' ' A' ' 79' ' ' ASP . 45.4 p90 -124.35 138.33 54.39 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.321 0.581 . . . . 73.030000000000001 111.037 -179.092 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.491 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 37.7 mtmt -105.86 148.21 27.84 Favored 'General case' 0 CA--C 1.501 -0.908 0 CA-C-N 115.32 -0.855 . . . . 72.109999999999999 109.823 176.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 60.9 mt -122.98 102.21 11.06 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 N-CA-C 107.821 -1.177 . . . . 61.539999999999999 107.821 170.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.413 ' HD2' ' HA ' ' A' ' 70' ' ' LYS . 25.6 tptp -89.2 118.37 28.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.241 0.543 . . . . 64.439999999999998 110.205 -176.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -68.32 112.14 5.02 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.778 -1.101 . . . . 72.219999999999999 110.209 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 78.6 mt -116.35 179.1 4.09 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.716 -0.476 . . . . 75.299999999999997 109.716 175.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -87.48 106.04 17.71 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.282 -0.417 . . . . 71.129999999999995 109.882 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.55 -2.45 84.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.533 -0.842 . . . . 52.100000000000001 112.481 175.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.588 ' HA ' ' O ' ' A' ' 37' ' ' ALA . 20.2 pt20 -165.66 178.13 6.85 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.841 -0.429 . . . . 75.519999999999996 109.841 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.462 HG21 ' HA ' ' A' ' 39' ' ' ARG . 27.4 m -141.61 162.13 20.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.822 0.344 . . . . 71.150000000000006 110.879 176.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.403 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 40.2 tt0 -105.37 117.4 33.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.077 -0.511 . . . . 75.299999999999997 109.725 173.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.704 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.3 tm? -96.53 113.92 25.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.897 -0.779 . . . . 74.299999999999997 108.897 175.026 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.548 ' O ' ' HA ' ' A' ' 67' ' ' TYR . 11.0 t70 -120.98 106.39 11.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.742 -0.663 . . . . 74.519999999999996 110.036 -176.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.83 124.13 47.6 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.784 0.326 . . . . 75.120000000000005 111.561 -176.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.57 102.97 12.0 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.817 -0.438 . . . . 71.219999999999999 109.817 175.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' A' ' 29' ' ' THR . 87.9 m-85 -94.09 126.68 39.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.429 -0.351 . . . . 71.120000000000005 110.259 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.719 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 21.5 m -96.84 146.75 24.62 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.611 -0.515 . . . . 74.230000000000004 109.611 178.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.708 ' HB3' ' HB2' ' A' ' 89' ' ' GLU . 93.5 m-85 -124.2 147.35 48.08 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.222 -0.288 . . . . 73.510000000000005 110.222 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.3 m -65.51 -30.2 70.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.126 -0.488 . . . . 75.209999999999994 110.86 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.651 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 33.5 m -136.09 162.66 32.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.026 -0.534 . . . . 75.030000000000001 109.906 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.573 ' O ' ' HB3' ' A' ' 90' ' ' MET . 29.1 tt0 -75.75 -26.1 57.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.977 0.418 . . . . 75.010000000000005 110.045 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.59 88.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 63.109999999999999 110.082 173.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.708 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 1.3 mm-40 -62.79 -38.39 90.46 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.952 -0.567 . . . . 63.409999999999997 109.582 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.573 ' HB3' ' O ' ' A' ' 87' ' ' GLN . 11.5 tpt -54.05 -58.62 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.131 -0.941 . . . . 74.340000000000003 111.16 177.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.4 pt -70.91 -37.23 67.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.898 0.703 . . . . 73.120000000000005 112.898 -173.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 pp -67.02 -30.61 50.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 120.472 -0.491 . . . . 70.25 110.683 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.569 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 69.5 t80 -67.97 -47.81 67.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.733 -0.469 . . . . 72.540000000000006 109.733 175.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.575 ' O ' ' HD3' ' A' ' 98' ' ' ARG . 6.8 mm-40 -56.18 -47.71 77.78 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.673 -0.694 . . . . 73.140000000000001 110.875 176.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 98.1 mt -55.04 -45.15 75.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.182 0.515 . . . . 71.120000000000005 110.881 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.8 m -64.72 -38.58 91.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.682 -0.69 . . . . 75.219999999999999 111.357 -177.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 71.0 mt -63.04 -40.01 96.45 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.999 0.428 . . . . 72.310000000000002 111.099 -179.048 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.575 ' HD3' ' O ' ' A' ' 94' ' ' GLU . 9.7 mpt_? -74.79 -30.56 61.47 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.023 -0.535 . . . . 71.430000000000007 110.103 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.7 m -75.66 -0.74 21.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.149 0.499 . . . . 64.219999999999999 110.585 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.6 tt . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.826 -0.624 . . . . 60.310000000000002 110.592 -177.668 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 . . . . . 0 CA--C 1.522 -0.129 0 N-CA-C 108.603 -0.888 . . . . 73.299999999999997 108.603 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.9 m -111.03 3.91 19.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.383 0.611 . . . . 62.020000000000003 109.739 173.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.7 m -116.44 121.14 40.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.488 -0.778 . . . . 75.340000000000003 109.961 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.835 ' HB2' ' HG3' ' A' ' 90' ' ' MET . 11.6 t -104.17 127.55 51.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.986 0.422 . . . . 33.539999999999999 110.573 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -98.93 127.94 44.97 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.993 -0.549 . . . . 73.049999999999997 109.741 175.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -119.86 118.7 31.46 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.675 -0.491 . . . . 73.510000000000005 109.675 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m -128.57 116.66 19.99 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.134 -0.321 . . . . 45.43 110.134 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -137.89 142.62 40.66 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.092 -0.336 . . . . 72.109999999999999 110.092 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -91.03 144.29 25.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.419 -0.355 . . . . 73.540000000000006 110.665 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.457 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 89.4 m-85 -132.96 157.3 45.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.335 -0.393 . . . . 74.109999999999999 110.678 178.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.26 83.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 71.409999999999997 111.411 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -120.14 154.13 35.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.198 -0.455 . . . . 35.439999999999998 110.064 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.727 ' HA ' HG21 ' A' ' 76' ' ' VAL . 69.5 ttt-85 -58.87 -35.28 72.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.348 0.594 . . . . 74.030000000000001 110.356 175.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.55 -38.27 86.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.349 -0.841 . . . . 71.200000000000003 111.543 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.457 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 30.6 mm-40 -55.33 -33.03 62.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.188 -0.915 . . . . 64.030000000000001 110.771 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.501 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -76.26 -43.35 42.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.663 -0.698 . . . . 64.340000000000003 110.353 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -58.88 -47.86 83.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.736 -0.666 . . . . 72.120000000000005 110.38 178.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -64.15 -30.59 71.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.582 -0.735 . . . . 64.049999999999997 111.37 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.549 ' O ' HD23 ' A' ' 49' ' ' LEU . 38.1 t80 -75.96 -37.32 58.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.991 0.424 . . . . 72.420000000000002 110.233 -177.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.422 ' HE1' ' HB2' ' A' ' 80' ' ' ALA . 42.6 tpp -64.54 -26.24 68.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.063 -0.517 . . . . 71.109999999999999 111.107 -179.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.45 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 6.4 m -59.56 -48.54 81.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.392 -0.367 . . . . 70.430000000000007 111.642 -177.114 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -72.83 -28.35 62.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.83 0.348 . . . . 74.409999999999997 110.887 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 45' ' ' PHE . 3.7 mm? -62.56 -39.43 93.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.039 -0.528 . . . . 74.349999999999994 110.672 176.064 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.45 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 42.0 mttt -59.34 -47.65 84.62 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.403 -0.362 . . . . 73.010000000000005 111.305 177.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -59.51 -45.81 90.66 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.189 -0.46 . . . . 63.329999999999998 110.948 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.515 HD13 HD23 ' A' ' 97' ' ' LEU . 98.6 mt -64.73 -40.12 94.8 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.542 -0.754 . . . . 74.409999999999997 111.193 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.12 93.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.712 0.291 . . . . 71.140000000000001 110.99 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.28 -30.75 71.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 53.130000000000003 111.336 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.69 -28.73 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.424 -0.353 . . . . 71.129999999999995 111.245 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.27 -43.04 22.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 52.100000000000001 111.889 -177.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 p -72.89 130.66 40.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.223 0.535 . . . . 60.210000000000001 110.844 -177.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.3 m -106.98 18.63 21.55 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.486 0.66 . . . . 72.430000000000007 110.089 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.27 8.67 15.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.398 -0.819 . . . . 52.200000000000003 111.631 -177.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 70.13 -71.58 0.12 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.489 0.716 . . . . 61.0 112.59 174.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.41 -34.61 78.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.889 0.376 . . . . 75.409999999999997 111.011 -176.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.0 -152.65 24.78 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.879 -0.677 . . . . 55.399999999999999 111.797 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.96 157.36 43.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.824 -0.435 . . . . 54.140000000000001 109.824 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.936 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 66.7 m -73.83 106.81 5.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.457 -0.338 . . . . 63.149999999999999 110.464 178.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.495 HG22 ' HD2' ' A' ' 67' ' ' TYR . 4.0 p -116.0 115.72 50.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 121.402 0.62 . . . . 70.109999999999999 110.847 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.559 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . . . -100.09 96.74 7.71 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.775 -0.648 . . . . 61.219999999999999 109.673 175.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.495 ' HD2' HG22 ' A' ' 65' ' ' VAL . 4.9 p90 -99.34 120.08 38.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.213 0.53 . . . . 74.209999999999994 111.13 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -128.14 148.47 50.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.69 -0.686 . . . . 74.420000000000002 110.593 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.503 HG12 HD23 ' A' ' 78' ' ' LEU . 60.2 mt -131.9 105.39 9.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.109 -0.95 . . . . 55.25 109.103 177.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -86.79 115.99 24.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.605 0.717 . . . . 75.519999999999996 110.495 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.643 ' HA ' HG12 ' A' ' 76' ' ' VAL . 7.0 p-10 -80.11 105.36 11.33 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.265 -1.334 . . . . 72.530000000000001 110.119 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 72.4 mt -107.32 -174.53 2.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.72 -0.673 . . . . 73.510000000000005 110.182 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -87.87 104.78 16.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.997 0.427 . . . . 53.539999999999999 110.779 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.79 -17.75 58.72 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.914 -0.66 . . . . 74.219999999999999 112.643 175.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 14.2 pt20 -158.69 172.0 19.06 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.148 -0.316 . . . . 70.109999999999999 110.148 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.727 HG21 ' HA ' ' A' ' 39' ' ' ARG . 27.1 m -134.81 164.11 34.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.806 0.336 . . . . 73.230000000000004 110.872 178.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -116.9 117.2 29.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.925 -0.58 . . . . 72.540000000000006 110.11 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.503 HD23 HG12 ' A' ' 69' ' ' ILE . 3.2 tm? -89.13 113.67 24.86 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.191 -1.04 . . . . 52.43 108.191 174.14 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -126.96 119.57 27.02 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.764 -0.653 . . . . 73.200000000000003 110.409 -174.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 66' ' ' ALA . . . -130.32 133.15 46.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.18 0.514 . . . . 53.399999999999999 111.462 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.559 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . . . -109.0 108.16 18.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.567 -0.742 . . . . 50.520000000000003 110.063 174.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -97.9 112.78 24.57 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.392 -0.367 . . . . 71.230000000000004 110.193 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.936 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 11.7 m -102.85 105.83 16.29 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.106 -0.497 . . . . 74.219999999999999 110.261 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -95.46 -168.57 1.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.23 -0.441 . . . . 73.230000000000004 110.418 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.8 m -99.49 -43.58 6.48 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.328 -0.619 . . . . 61.020000000000003 109.328 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 34.2 m -116.65 148.65 40.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.21 -0.905 . . . . 64.439999999999998 110.108 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.569 ' O ' HG12 ' A' ' 91' ' ' ILE . 27.1 tt0 -61.07 -31.23 70.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.25 -0.432 . . . . 75.219999999999999 110.47 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.539 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -52.78 -46.33 67.53 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.891 -0.595 . . . . 32.5 110.861 176.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.99 -35.93 82.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.349 -0.387 . . . . 65.010000000000005 110.569 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.835 ' HG3' ' HB2' ' A' ' 30' ' ' SER . 20.6 ttt -64.11 -57.86 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.828 -0.624 . . . . 72.319999999999993 110.823 178.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 87' ' ' GLN . 19.2 pt -65.37 -39.6 85.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.407 0.521 . . . . 73.319999999999993 112.407 -174.145 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 88' ' ' ALA . 40.1 pt -65.36 -30.99 51.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 120.747 -0.381 . . . . 75.0 110.479 179.219 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.548 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 75.1 t80 -67.89 -51.6 46.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.961 -0.563 . . . . 70.099999999999994 110.889 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.464 ' HA ' HD12 ' A' ' 97' ' ' LEU . 7.1 pt-20 -73.83 -27.61 61.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.588 -0.278 . . . . 71.329999999999998 111.711 -176.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 80.5 mt -68.99 -42.27 76.72 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.9 -0.407 . . . . 71.099999999999994 109.9 173.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.6 t -60.82 -36.78 79.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.009 -0.542 . . . . 73.439999999999998 110.6 176.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 94.1 mt -53.73 -48.94 69.14 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.959 0.409 . . . . 70.5 110.599 176.178 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -65.89 -39.3 90.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.772 -0.649 . . . . 73.409999999999997 110.974 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.8 t -64.68 -42.54 95.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 52.030000000000001 110.827 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.4 tp . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.335 -0.393 . . . . 74.310000000000002 110.69 -179.219 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.522 -0.104 0 N-CA-C 110.458 -0.201 . . . . 73.430000000000007 110.458 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.605 ' HA ' ' HE2' ' A' ' 90' ' ' MET . 75.4 m -102.6 14.75 31.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.994 0.426 . . . . 74.439999999999998 111.572 -177.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.9 m -106.44 131.21 53.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.292 -0.413 . . . . 71.510000000000005 110.219 176.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 24.8 t -97.98 116.23 29.78 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.655 -0.498 . . . . 72.439999999999998 109.655 178.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.58 113.17 25.42 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.668 -0.493 . . . . 74.129999999999995 109.668 177.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.462 ' HE2' ' HE2' ' A' ' 45' ' ' PHE . 65.1 t80 -121.28 118.63 30.03 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.026 -0.534 . . . . 74.239999999999995 110.197 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -122.95 131.14 53.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.966 -0.561 . . . . 53.539999999999999 110.478 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HD2' HH11 ' A' ' 34' ' ' ARG . 7.9 mmt85 -137.59 154.59 49.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.299 -0.41 . . . . 73.319999999999993 111.619 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -107.27 135.05 49.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.165 -0.471 . . . . 72.209999999999994 110.011 176.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -132.68 168.25 18.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.313 -0.403 . . . . 50.100000000000001 110.498 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.89 -56.82 7.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.072 0.463 . . . . 51.020000000000003 111.031 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.551 ' OG1' ' HG2' ' A' ' 41' ' ' GLU . 79.6 p -124.3 166.43 15.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.044 -0.525 . . . . 53.329999999999998 110.434 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.753 ' HG3' HG21 ' A' ' 69' ' ' ILE . 26.5 ttt85 -64.32 -29.41 70.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.118 0.485 . . . . 73.310000000000002 109.913 177.275 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -58.74 -47.45 84.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.341 -0.845 . . . . 74.420000000000002 110.546 175.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.551 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 42.2 mm-40 -60.03 -29.31 68.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.041 -0.981 . . . . 73.140000000000001 110.948 178.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.95 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.851 -0.613 . . . . 71.540000000000006 110.767 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -63.57 -34.58 78.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 72.409999999999997 110.2 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.1 t -59.77 -38.81 82.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.498 -0.773 . . . . 74.450000000000003 110.499 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.462 ' HE2' ' HE2' ' A' ' 32' ' ' PHE . 5.9 t80 -80.04 -28.97 39.22 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.954 0.407 . . . . 74.129999999999995 110.14 -176.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 42.6 tpp -68.19 -30.45 69.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 71.25 110.191 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -62.71 -47.54 83.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 60.539999999999999 110.723 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.0 ptmt -73.36 -28.16 61.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.521 -0.309 . . . . 75.519999999999996 111.06 178.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -39.11 88.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.75 0.309 . . . . 70.140000000000001 110.188 176.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -60.16 -40.98 91.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 70.0 110.996 174.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -64.72 -44.49 90.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 73.219999999999999 110.384 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 96.8 mt -61.49 -42.51 98.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 73.030000000000001 110.686 178.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.26 96.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 55.520000000000003 111.034 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.57 98.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 72.5 111.12 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.67 77.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.516 . . . . 70.319999999999993 111.154 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.16 -51.97 18.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.002 -0.544 . . . . 53.200000000000003 111.466 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.8 p -63.83 131.49 47.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.703 0.764 . . . . 72.150000000000006 111.326 -175.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.0 m -121.81 -9.7 8.79 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.171 -0.922 . . . . 53.450000000000003 109.205 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.55 ' CB ' ' HB2' ' A' ' 85' ' ' SER . . . -64.84 -59.97 3.61 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.903 -1.044 . . . . 72.329999999999998 112.301 -177.309 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -137.4 -87.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.483 -0.487 . . . . 74.120000000000005 112.158 -175.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -127.96 -23.16 3.39 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.564 0.697 . . . . 74.420000000000002 109.352 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 179.03 -139.93 4.18 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.174 -0.921 . . . . 62.450000000000003 112.146 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -145.13 160.52 41.3 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.373 -0.232 . . . . 75.150000000000006 110.373 -176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.583 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 49.0 m -69.94 108.78 4.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.254 -0.43 . . . . 61.5 110.016 176.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.502 HG22 ' HD1' ' A' ' 67' ' ' TYR . 3.9 p -100.8 115.95 43.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.542 0.687 . . . . 73.099999999999994 111.299 -177.077 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.05 105.93 11.92 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.478 -0.783 . . . . 52.43 109.146 173.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.502 ' HD1' HG22 ' A' ' 65' ' ' VAL . 42.3 p90 -132.19 159.26 39.5 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.328 -0.397 . . . . 71.349999999999994 111.067 -174.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.436 ' CD ' ' HB3' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -134.86 148.58 50.16 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.156 0.503 . . . . 73.140000000000001 109.798 170.425 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.753 HG21 ' HG3' ' A' ' 39' ' ' ARG . 45.4 mt -112.09 104.75 17.55 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 108.165 -1.05 . . . . 64.239999999999995 108.165 173.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -92.5 120.2 32.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.255 0.55 . . . . 73.319999999999993 110.781 -175.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.567 ' HA ' HG12 ' A' ' 76' ' ' VAL . 12.5 m-20 -77.82 94.25 4.48 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.833 -1.076 . . . . 72.319999999999993 108.622 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 95.9 mt -88.3 -167.41 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.232 0.539 . . . . 73.420000000000002 111.007 -174.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -93.89 97.02 10.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.695 -0.684 . . . . 71.519999999999996 110.725 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.58 -6.28 77.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.979 -0.629 . . . . 50.32 112.409 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.432 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 9.7 pt20 -160.71 -178.36 6.81 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.104 -0.702 . . . . 73.400000000000006 109.104 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.567 HG12 ' HA ' ' A' ' 71' ' ' ASP . 35.7 m -133.49 157.18 42.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.636 0.255 . . . . 74.349999999999994 110.755 176.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.4 ' HB2' HD11 ' A' ' 72' ' ' LEU . 43.0 tt0 -112.58 119.98 40.0 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.171 -0.468 . . . . 73.329999999999998 109.948 175.184 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.565 HD23 HG12 ' A' ' 69' ' ' ILE . 3.4 tm? -98.56 111.94 24.14 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.192 -1.04 . . . . 71.209999999999994 108.192 175.135 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.436 ' HB3' ' CD ' ' A' ' 68' ' ' LYS . 21.5 t70 -125.78 114.52 18.71 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.331 -0.395 . . . . 70.010000000000005 110.338 -176.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.58 127.02 47.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.171 -0.468 . . . . 31.210000000000001 111.538 -176.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 30' ' ' SER . . . -109.3 110.99 22.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.897 -0.592 . . . . 53.329999999999998 110.21 174.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -101.1 112.89 25.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.159 -0.473 . . . . 73.450000000000003 110.864 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.583 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 72.1 m -92.49 104.75 17.03 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.917 -0.401 . . . . 64.319999999999993 109.917 174.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -78.8 172.25 14.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.98 -0.554 . . . . 74.409999999999997 110.95 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.55 ' HB2' ' CB ' ' A' ' 59' ' ' ALA . 16.9 m -102.34 -19.41 15.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.131 0.491 . . . . 64.450000000000003 110.029 -176.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.606 ' HB3' ' HG2' ' A' ' 89' ' ' GLU . 42.7 t -123.43 151.58 42.51 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.652 -0.704 . . . . 31.449999999999999 109.19 173.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.65 ' O ' HG12 ' A' ' 91' ' ' ILE . 27.3 tt0 -74.36 -32.84 62.92 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.621 -0.431 . . . . 74.310000000000002 110.517 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.51 -48.3 81.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.286 -0.415 . . . . 64.430000000000007 111.178 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.606 ' HG2' ' HB3' ' A' ' 86' ' ' CYS . 15.0 pt-20 -64.93 -27.3 68.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 62.119999999999997 111.223 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.605 ' HE2' ' HA ' ' A' ' 28' ' ' CYS . 14.3 tmm? -75.64 -48.38 22.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.282 -0.417 . . . . 72.319999999999993 111.015 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.65 HG12 ' O ' ' A' ' 87' ' ' GLN . 7.2 pt -69.22 -34.52 63.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 112.086 0.402 . . . . 54.310000000000002 112.086 -176.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 pp -71.29 -29.91 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.708 -0.397 . . . . 65.019999999999996 110.214 176.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.689 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 72.6 t80 -64.52 -43.18 94.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.542 . . . . 72.409999999999997 109.597 175.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.427 ' O ' ' HD3' ' A' ' 98' ' ' ARG . 56.2 mm-40 -54.97 -44.59 74.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.466 -0.788 . . . . 72.329999999999998 110.885 177.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 67.9 mt -70.42 -47.74 59.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.196 -0.456 . . . . 73.109999999999999 111.103 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.5 m -54.4 -39.35 67.19 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.264 -0.426 . . . . 64.319999999999993 111.483 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 85.6 mt -57.57 -51.58 68.88 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.065 0.459 . . . . 73.040000000000006 111.546 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.427 ' HD3' ' O ' ' A' ' 94' ' ' GLU . 5.9 mpt_? -77.24 -30.94 54.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.919 -0.582 . . . . 73.209999999999994 111.383 -172.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.2 m -83.18 -0.36 48.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.338 -0.392 . . . . 60.119999999999997 111.354 -177.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.1 tp . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 120.866 0.365 . . . . 74.239999999999995 111.264 -178.451 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 121.265 0.555 . . . . 70.239999999999995 111.267 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.9 p -107.55 -6.06 17.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.769 -0.65 . . . . 54.130000000000003 109.84 175.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.2 m -92.48 117.34 29.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.627 -0.715 . . . . 52.149999999999999 110.175 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.658 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 23.2 t -98.27 116.2 30.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.543 -0.54 . . . . 71.400000000000006 109.543 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.774 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -104.72 160.35 15.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.055 -0.52 . . . . 71.150000000000006 110.2 -178.86 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -154.26 118.87 4.89 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.63 -0.714 . . . . 64.420000000000002 110.202 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.665 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 3.9 p -134.97 106.94 7.06 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.296 0.57 . . . . 63.020000000000003 110.629 175.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -127.2 143.98 51.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.564 -0.744 . . . . 74.329999999999998 110.039 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.47 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 98.3 m-85 -87.38 133.87 33.66 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.054 -0.521 . . . . 73.430000000000007 109.726 175.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.73 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 96.6 m-85 -117.7 161.65 19.33 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.877 -0.601 . . . . 74.329999999999998 110.085 -179.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.71 -43.18 98.13 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.362 0.413 . . . . 52.32 111.089 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.39 166.54 24.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.515 -0.55 . . . . 74.530000000000001 109.515 178.11 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.75 ' HA ' HG21 ' A' ' 76' ' ' VAL . 19.0 ttt180 -61.43 -29.34 69.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.676 0.274 . . . . 52.219999999999999 110.76 -179.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.62 -50.51 65.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.403 0.62 . . . . 64.409999999999997 110.528 174.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.73 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 42.4 mm-40 -57.37 -33.03 67.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.792 -1.095 . . . . 74.420000000000002 110.575 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.09 -52.16 10.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.731 -0.668 . . . . 44.520000000000003 111.315 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.694 ' HG2' HD13 ' A' ' 69' ' ' ILE . 43.5 mt-10 -63.26 -36.12 82.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 71.430000000000007 111.096 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 t -66.48 -32.22 73.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.162 -0.472 . . . . 53.130000000000003 110.305 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.535 ' O ' HD23 ' A' ' 49' ' ' LEU . 4.0 t80 -76.18 -30.09 57.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.756 -0.461 . . . . 72.400000000000006 109.756 -177.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 31.1 tpp -62.8 -37.04 85.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.081 0.467 . . . . 71.25 110.699 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.565 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 27.3 m -60.17 -49.11 78.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.89 -0.595 . . . . 62.210000000000001 111.213 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -71.13 -27.17 63.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.893 0.378 . . . . 74.019999999999996 111.089 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -62.67 -37.57 86.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 74.109999999999999 110.432 173.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.565 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 46.2 mttt -63.9 -40.81 97.38 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.728 -0.214 . . . . 33.340000000000003 110.686 175.227 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -57.57 -51.26 70.2 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.511 0.672 . . . . 71.340000000000003 109.854 175.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.73 -44.95 94.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.153 -0.93 . . . . 63.140000000000001 111.477 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.11 83.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.456 -0.338 . . . . 55.219999999999999 111.457 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.84 -35.7 80.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.25 111.517 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.9 -28.41 25.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.526 -0.306 . . . . 70.040000000000006 111.667 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.44 -26.26 32.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.956 0.354 . . . . 54.229999999999997 111.956 -176.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.1 p -89.83 133.69 34.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.465 0.65 . . . . 71.239999999999995 111.757 -174.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.6 m -83.45 6.23 20.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.284 -0.871 . . . . 71.030000000000001 110.697 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.81 2.01 40.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.808 -0.633 . . . . 73.400000000000006 110.888 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.2 t70 73.66 -64.1 0.41 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.901 0.751 . . . . 73.140000000000001 112.063 175.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.29 -32.57 68.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.907 0.384 . . . . 61.020000000000003 110.985 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.59 -132.16 4.81 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.648 -0.787 . . . . 64.010000000000005 111.864 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.9 168.57 24.1 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.049 -0.352 . . . . 52.229999999999997 110.049 -178.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.472 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 15.3 m -71.57 109.98 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.927 -0.397 . . . . 65.349999999999994 109.927 177.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 p -104.84 119.37 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.533 0.682 . . . . 70.049999999999997 111.487 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.82 130.2 50.93 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.114 -0.948 . . . . 42.149999999999999 108.456 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -146.44 154.47 41.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.375 0.607 . . . . 71.319999999999993 112.049 -173.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -124.29 142.3 51.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.908 -1.042 . . . . 75.010000000000005 110.043 175.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.694 HD13 ' HG2' ' A' ' 43' ' ' GLU . 45.6 mt -119.15 104.27 15.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 N-CA-C 108.039 -1.097 . . . . 64.5 108.039 174.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.756 ' HB3' ' HG2' ' A' ' 77' ' ' GLU . 40.8 tttm -115.29 110.11 18.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.881 0.848 . . . . 74.420000000000002 111.177 -168.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.799 ' HA ' HG12 ' A' ' 76' ' ' VAL . 4.3 m-20 -75.88 131.63 39.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 113.838 -1.528 . . . . 74.340000000000003 110.961 -175.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.4 mt -123.06 -170.6 2.14 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.088 -0.708 . . . . 53.340000000000003 109.088 173.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -95.82 101.3 12.97 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.873 -0.331 . . . . 54.229999999999997 110.47 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.94 0.09 68.92 Favored Glycine 0 C--O 1.235 0.187 0 C-N-CA 121.112 -0.566 . . . . 61.439999999999998 112.086 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -162.51 169.71 19.86 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.238 -0.653 . . . . 62.140000000000001 109.238 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.799 HG12 ' HA ' ' A' ' 71' ' ' ASP . 28.6 m -144.71 153.39 14.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 109.419 -0.585 . . . . 74.319999999999993 109.419 176.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.756 ' HG2' ' HB3' ' A' ' 70' ' ' LYS . 12.5 pt-20 -108.0 128.4 54.62 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.598 0.713 . . . . 72.430000000000007 110.302 174.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.665 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.1 tm? -102.98 111.13 23.32 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 108.049 -1.093 . . . . 74.450000000000003 108.049 174.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -118.29 108.81 15.56 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.018 -0.537 . . . . 71.209999999999994 110.13 -173.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.77 155.76 37.33 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.978 0.418 . . . . 52.310000000000002 111.384 -177.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -139.88 114.17 9.1 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.466 -0.788 . . . . 70.5 109.546 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -105.6 112.55 25.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.116 -0.493 . . . . 75.019999999999996 110.35 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.472 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 5.4 m -88.22 107.2 18.67 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.729 0.3 . . . . 64.409999999999997 110.268 179.072 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.441 ' HE2' ' HB3' ' A' ' 30' ' ' SER . 98.5 m-85 -91.97 165.73 13.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 71.420000000000002 110.582 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.9 m -79.55 -29.22 41.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.264 -0.426 . . . . 65.129999999999995 111.276 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.411 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 56.1 m -124.34 164.74 19.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.275 -0.42 . . . . 71.120000000000005 110.24 -178.126 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -80.52 -32.47 36.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.525 -0.307 . . . . 74.519999999999996 111.132 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.511 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.86 -38.18 69.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 110.92 178.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -62.16 -34.07 75.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.885 -0.598 . . . . 75.150000000000006 110.386 -179.516 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.658 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 11.5 tmm? -70.21 -50.76 36.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 74.109999999999999 110.262 -177.166 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.615 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.6 pt -67.19 -41.23 86.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.317 -0.401 . . . . 72.409999999999997 111.844 -177.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 88' ' ' ALA . 40.9 pt -66.63 -30.39 49.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 120.77 -0.372 . . . . 74.099999999999994 110.573 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.686 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 19.5 t80 -63.43 -48.45 77.71 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.387 -0.597 . . . . 70.120000000000005 109.387 176.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.461 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 58.0 mm-40 -55.47 -38.42 69.07 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.574 -0.739 . . . . 60.329999999999998 111.053 175.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 78.5 mt -66.16 -53.73 33.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.882 -0.599 . . . . 73.219999999999999 110.602 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.6 p -59.19 -37.53 77.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 72.219999999999999 112.21 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 80.8 mt -60.09 -49.09 79.0 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.121 0.486 . . . . 74.329999999999998 110.514 178.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.461 ' NH1' ' HB3' ' A' ' 94' ' ' GLU . 76.4 mtt85 -69.1 -33.36 73.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.477 -0.783 . . . . 73.319999999999993 111.22 -178.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 m -77.36 -34.85 54.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.933 -0.576 . . . . 62.109999999999999 111.718 -175.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 34.1 tp . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 120.917 0.389 . . . . 74.540000000000006 110.974 -177.078 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.3 p30 . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 109.621 -0.511 . . . . 74.120000000000005 109.621 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 m -112.55 13.91 20.11 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.202 0.525 . . . . 51.140000000000001 110.554 -175.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 83' ' ' THR . 41.6 m -95.1 128.81 42.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.728 -0.669 . . . . 74.5 110.408 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.673 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 9.2 t -97.61 104.3 16.32 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.277 -0.638 . . . . 62.439999999999998 109.277 177.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -97.69 119.93 37.15 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.582 -0.735 . . . . 72.25 110.543 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -126.83 119.51 27.0 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.123 -0.49 . . . . 60.140000000000001 109.819 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 t -126.19 113.57 17.19 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.857 -0.611 . . . . 61.100000000000001 109.771 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -138.69 150.67 46.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.414 -0.357 . . . . 60.109999999999999 110.138 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -105.14 129.59 53.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.771 0.32 . . . . 74.349999999999994 110.599 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -120.16 171.12 8.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.889 -0.596 . . . . 71.349999999999994 110.677 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.39 -54.77 23.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.395 . . . . 65.230000000000004 111.426 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.535 ' OG1' ' HG2' ' A' ' 41' ' ' GLU . 62.5 p -128.3 165.94 19.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.987 0.422 . . . . 74.109999999999999 111.264 -178.158 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.537 ' HG3' HG21 ' A' ' 69' ' ' ILE . 28.1 ttt-85 -63.03 -28.09 69.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.564 -0.744 . . . . 73.299999999999997 109.716 178.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.67 -50.15 73.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.197 -0.911 . . . . 53.25 110.337 175.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.535 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 14.1 mm-40 -59.93 -28.52 67.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.108 -0.951 . . . . 64.409999999999997 110.999 -178.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.455 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -71.67 -52.05 19.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.643 -0.708 . . . . 44.409999999999997 111.179 -177.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.02 -33.12 73.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.868 0.366 . . . . 73.200000000000003 110.693 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.9 m -67.56 -27.77 67.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 74.310000000000002 111.034 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.546 ' O ' HD23 ' A' ' 49' ' ' LEU . 88.7 t80 -69.92 -35.69 74.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.129 0.49 . . . . 65.150000000000006 110.172 178.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 38.1 ttm -72.35 -18.9 61.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.003 -0.544 . . . . 73.120000000000005 111.245 -177.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 m -56.67 -49.16 75.9 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 120.913 0.387 . . . . 72.420000000000002 111.109 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -73.51 -29.75 62.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.092 0.472 . . . . 63.140000000000001 110.82 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.0 mm? -66.51 -40.79 89.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.922 -0.581 . . . . 71.040000000000006 110.591 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -38.63 84.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 62.299999999999997 111.314 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.59 -45.73 91.55 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.44 0.638 . . . . 72.450000000000003 110.069 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -68.79 -42.0 77.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.146 -0.933 . . . . 74.120000000000005 111.268 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.67 75.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.384 -0.371 . . . . 72.420000000000002 111.635 -178.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.23 -36.15 81.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 64.319999999999993 111.147 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.67 -33.55 21.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.949 0.404 . . . . 73.109999999999999 111.163 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.36 -27.43 67.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.823 -0.626 . . . . 51.5 112.122 -176.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.6 ' HB3' ' CD1' ' A' ' 84' ' ' PHE . 48.7 p -115.74 139.81 49.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.751 0.31 . . . . 72.510000000000005 110.914 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.9 m -92.14 64.14 4.48 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.211 0.529 . . . . 71.140000000000001 109.819 174.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.74 -23.92 4.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.746 -0.661 . . . . 71.030000000000001 110.934 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 74.26 -62.71 0.45 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.583 0.753 . . . . 70.010000000000005 111.572 177.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -94.51 19.67 9.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.994 -0.548 . . . . 72.25 111.839 -172.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.66 150.14 13.17 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.769 -0.729 . . . . 63.219999999999999 113.407 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.99 179.1 5.34 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.954 -0.387 . . . . 40.130000000000003 109.954 176.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . 1.13 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 38.9 m -74.11 87.11 1.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.898 0.38 . . . . 65.540000000000006 110.198 177.181 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 p -100.57 115.73 42.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.602 0.715 . . . . 73.340000000000003 111.255 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.72 100.79 9.23 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.323 -0.853 . . . . 53.25 108.929 173.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -125.12 153.16 43.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.829 0.347 . . . . 75.519999999999996 110.648 -174.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.97 153.9 26.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.825 -0.625 . . . . 72.109999999999999 110.299 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.537 HG21 ' HG3' ' A' ' 39' ' ' ARG . 54.0 mt -114.0 121.76 66.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.465 -0.789 . . . . 75.129999999999995 109.368 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.864 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 17.6 tppt? -92.19 110.67 22.06 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.467 0.651 . . . . 75.230000000000004 110.253 177.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.42 ' HA ' HG12 ' A' ' 76' ' ' VAL . 2.6 m-20 -76.06 113.89 14.08 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.62 -1.173 . . . . 72.200000000000003 110.235 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 mt -120.96 179.27 4.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.82 0.343 . . . . 70.409999999999997 110.387 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.17 104.92 11.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.034 -0.53 . . . . 75.120000000000005 111.152 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.43 -12.59 68.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.035 -0.602 . . . . 75.030000000000001 112.932 174.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -153.17 171.13 18.94 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.718 -0.475 . . . . 72.019999999999996 109.718 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 71' ' ' ASP . 27.1 m -138.14 153.56 27.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.378 -0.374 . . . . 73.519999999999996 110.6 175.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.864 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 40.7 tt0 -102.76 114.18 28.22 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.893 -0.594 . . . . 73.109999999999999 109.709 175.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.503 HD23 HG12 ' A' ' 69' ' ' ILE . 3.2 tm? -93.63 109.37 21.01 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.085 -1.08 . . . . 63.200000000000003 108.085 174.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -123.83 112.95 17.89 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.836 -0.62 . . . . 64.319999999999993 109.463 -173.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.12 140.04 47.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.962 0.41 . . . . 71.219999999999999 111.794 -174.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.05 107.95 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.542 -0.754 . . . . 74.129999999999995 110.563 175.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -96.75 112.71 24.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.536 -0.542 . . . . 75.219999999999999 109.536 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . 1.13 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 9.5 m -97.41 113.44 25.11 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.892 0.377 . . . . 50.229999999999997 110.093 -175.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.6 ' CD1' ' HB3' ' A' ' 57' ' ' SER . 86.9 m-85 -98.33 170.51 8.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.825 -0.625 . . . . 74.25 110.286 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.9 m -67.78 -41.67 82.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.33 -0.396 . . . . 25.219999999999999 110.879 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 38.3 m -130.37 155.15 46.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.284 -0.416 . . . . 73.230000000000004 110.053 -178.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.565 ' O ' HG12 ' A' ' 91' ' ' ILE . 33.1 tt0 -64.49 -27.98 69.35 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.077 -0.249 . . . . 63.039999999999999 110.549 178.045 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.84 -48.3 64.02 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.344 0.402 . . . . 64.25 110.54 176.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' A' ' 89' ' ' GLU . 1.6 mm-40 -65.05 -30.21 71.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.405 0.621 . . . . 74.409999999999997 110.146 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.673 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 13.4 tmm? -74.89 -48.71 23.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.489 -0.778 . . . . 65.420000000000002 110.621 -176.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 87' ' ' GLN . 13.2 pt -69.04 -42.8 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.45 -0.341 . . . . 71.319999999999993 111.505 -178.119 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.454 ' HA ' HD12 ' A' ' 95' ' ' LEU . 2.6 pp -62.3 -29.51 46.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-O 120.997 0.427 . . . . 74.219999999999999 110.369 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.518 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 57.0 t80 -62.26 -51.09 69.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.741 -0.663 . . . . 72.349999999999994 110.772 177.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.58 -28.43 56.2 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.955 -0.298 . . . . 75.530000000000001 110.589 -177.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 92' ' ' ILE . 75.7 mt -59.55 -45.99 90.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.975 0.416 . . . . 73.010000000000005 110.128 172.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.0 m -59.27 -39.42 82.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.894 -0.594 . . . . 71.129999999999995 110.479 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.3 mt -61.57 -48.43 80.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 61.229999999999997 110.395 177.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -64.66 -37.98 89.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.692 . . . . 64.209999999999994 111.649 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.4 m -78.95 -25.59 43.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.181 -0.463 . . . . 44.100000000000001 111.674 -176.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.4 tp . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 120.658 0.266 . . . . 63.100000000000001 110.916 -178.306 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.2 p30 . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 120.681 0.277 . . . . 51.520000000000003 110.803 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 62.8 m -92.2 -20.95 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.698 0.285 . . . . 63.530000000000001 111.454 -174.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 39.0 m -85.61 127.41 34.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.98 0.419 . . . . 73.409999999999997 110.482 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.753 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 15.2 t -97.22 105.54 17.71 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.509 -0.552 . . . . 73.530000000000001 109.509 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 80' ' ' ALA . 48.6 mtmt -109.9 149.1 30.38 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.381 0.61 . . . . 74.349999999999994 111.302 176.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -152.39 124.3 7.98 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.972 -1.013 . . . . 51.219999999999999 109.627 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 13.4 m -124.59 108.89 12.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.479 -0.328 . . . . 52.109999999999999 110.229 -178.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 34' ' ' ARG . 21.6 ttt85 -127.51 145.41 50.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.894 0.378 . . . . 53.200000000000003 111.415 -177.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -82.52 133.4 35.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.558 -0.747 . . . . 74.540000000000006 109.826 176.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.444 ' HE2' ' HB3' ' A' ' 78' ' ' LEU . 84.6 m-85 -120.21 157.64 28.67 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.154 -0.475 . . . . 73.030000000000001 110.106 176.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.74 -49.46 68.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.131 -0.486 . . . . 75.239999999999995 111.08 -178.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 42.0 p -124.2 160.15 28.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.15 -0.477 . . . . 62.299999999999997 110.126 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.602 ' HA ' HG21 ' A' ' 76' ' ' VAL . 17.2 ttt180 -63.81 -25.99 68.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.957 0.408 . . . . 75.340000000000003 110.127 176.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.81 -47.88 83.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.941 -0.572 . . . . 71.400000000000006 110.541 174.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 38.2 mm-40 -52.72 -33.09 46.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.198 -0.91 . . . . 62.219999999999999 111.295 177.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.482 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -75.41 -53.05 9.34 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.082 -0.508 . . . . 75.030000000000001 111.45 -176.301 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.95 -33.13 74.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.402 -0.363 . . . . 62.450000000000003 111.387 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -69.2 -30.05 68.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.913 0.387 . . . . 64.140000000000001 110.398 177.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.565 ' O ' HD23 ' A' ' 49' ' ' LEU . 80.9 t80 -71.02 -42.57 69.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 75.150000000000006 109.881 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.404 ' HE2' HD11 ' A' ' 78' ' ' LEU . 40.1 tpp -61.76 -24.3 66.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.782 -0.645 . . . . 74.319999999999993 111.391 -179.04 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.2 m -58.34 -49.85 75.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.388 -0.369 . . . . 64.329999999999998 111.246 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HE2' HD23 ' A' ' 100' ' ' LEU . 6.8 ptpp? -71.46 -29.52 64.95 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.884 -0.326 . . . . 63.240000000000002 110.807 -178.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 45' ' ' PHE . 2.9 mm? -58.29 -43.62 88.14 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.94 0.4 . . . . 71.230000000000004 110.499 178.35 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -60.37 -49.13 78.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.822 -0.626 . . . . 73.540000000000006 111.348 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -69.66 -36.24 75.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.068 -0.515 . . . . 72.349999999999994 111.091 -176.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.3 mt -65.34 -35.63 81.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.997 -0.547 . . . . 74.319999999999993 111.197 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.94 -37.48 86.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.148 0.499 . . . . 65.150000000000006 110.252 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.585 ' O ' ' HA ' ' A' ' 58' ' ' SER . . . -67.75 -29.81 69.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.611 -0.722 . . . . 73.540000000000006 110.991 177.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.65 -33.64 35.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.377 -0.374 . . . . 75.439999999999998 111.135 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.08 -57.07 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 55.030000000000001 111.86 -176.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.494 ' HG ' ' HD1' ' A' ' 84' ' ' PHE . 44.6 m -104.29 -2.28 25.82 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.112 0.412 . . . . 62.409999999999997 112.112 -175.012 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.585 ' HA ' ' O ' ' A' ' 54' ' ' ALA . 54.7 m 69.78 -56.4 0.57 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.829 0.706 . . . . 71.420000000000002 110.263 -174.017 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.619 ' HB1' ' HA2' ' A' ' 62' ' ' GLY . . . 71.92 -57.75 0.61 Allowed 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.969 0.908 . . . . 61.439999999999998 112.454 174.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.8 t70 60.68 -80.9 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.845 0.715 . . . . 64.519999999999996 110.594 -174.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -70.12 -34.46 73.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.287 -0.635 . . . . 74.129999999999995 109.287 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.619 ' HA2' ' HB1' ' A' ' 59' ' ' ALA . . . 123.75 127.84 3.26 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.54 -0.838 . . . . 74.310000000000002 113.273 173.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.24 157.79 37.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.203 -0.666 . . . . 75.219999999999999 109.203 170.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.824 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 16.4 m -58.95 107.17 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.996 0.427 . . . . 73.230000000000004 110.79 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.63 123.96 72.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.345 0.593 . . . . 63.130000000000003 111.47 -177.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . . . -124.88 139.1 54.14 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.37 -0.832 . . . . 72.219999999999999 109.378 174.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -140.52 140.5 35.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.882 0.372 . . . . 73.439999999999998 110.732 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.884 ' HB2' ' HB2' ' A' ' 79' ' ' ASP . 95.9 mttt -128.63 140.65 51.66 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.837 -0.62 . . . . 73.109999999999999 110.405 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.3 mt -126.35 103.96 12.2 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 CA-C-N 115.05 -0.977 . . . . 61.439999999999998 108.493 174.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -96.29 121.06 37.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.13 0.491 . . . . 73.519999999999996 110.895 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.497 ' HA ' HG12 ' A' ' 76' ' ' VAL . 14.0 m-20 -79.12 97.2 6.07 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.025 -0.989 . . . . 55.310000000000002 109.253 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 85.2 mt -92.98 -177.02 4.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.899 0.38 . . . . 73.340000000000003 110.051 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.17 101.97 14.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.947 0.403 . . . . 75.209999999999994 110.595 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.39 -27.63 14.79 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 115.844 -0.616 . . . . 52.100000000000001 112.311 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 11.1 pt20 -138.3 -179.82 6.02 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.83 -0.433 . . . . 70.099999999999994 109.83 -178.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.602 HG21 ' HA ' ' A' ' 39' ' ' ARG . 31.5 m -138.27 157.93 31.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 110.012 -0.366 . . . . 74.25 110.012 175.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -116.87 122.95 45.83 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.909 -0.404 . . . . 75.049999999999997 109.909 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.482 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.5 tm? -96.52 120.37 36.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.323 -0.853 . . . . 73.409999999999997 109.55 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.884 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 14.5 m-20 -107.95 116.15 31.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.028 -0.533 . . . . 72.549999999999997 110.498 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.629 ' O ' ' HA ' ' A' ' 31' ' ' LYS . . . -109.89 128.37 55.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.237 -0.438 . . . . 72.129999999999995 110.021 175.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . . . -133.47 103.76 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.861 0.362 . . . . 73.430000000000007 110.662 178.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -113.14 131.32 55.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.3 -0.409 . . . . 65.230000000000004 110.61 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.824 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 18.7 m -108.18 109.77 21.25 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.129 -0.323 . . . . 54.329999999999998 110.129 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.494 ' HD1' ' HG ' ' A' ' 57' ' ' SER . 69.7 m-85 -100.26 171.69 7.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 110.674 -178.416 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.1 m -86.24 -44.78 11.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.232 -0.44 . . . . 72.540000000000006 110.533 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.513 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 27.8 m -112.1 145.1 40.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.133 -0.485 . . . . 73.329999999999998 110.31 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.526 ' O ' HG12 ' A' ' 91' ' ' ILE . 18.6 tt0 -68.68 -28.45 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 74.230000000000004 110.369 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.481 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -57.07 -36.36 70.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.906 -0.588 . . . . 52.329999999999998 110.622 175.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.513 ' HG3' ' HB2' ' A' ' 86' ' ' CYS . 30.2 mt-10 -73.91 -34.2 64.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.939 -0.573 . . . . 71.310000000000002 110.038 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.753 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 14.4 tmm? -67.84 -48.97 64.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.794 -0.639 . . . . 64.129999999999995 110.416 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 87' ' ' GLN . 18.8 pt -66.39 -45.1 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.405 -0.361 . . . . 71.129999999999995 111.877 -177.004 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 88' ' ' ALA . 40.3 pt -63.28 -30.74 50.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-O 120.981 0.42 . . . . 62.399999999999999 110.462 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.431 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 91.1 t80 -66.85 -52.03 48.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.794 -0.639 . . . . 71.409999999999997 111.124 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.411 ' HA ' ' HG ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -73.73 -28.38 61.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.685 0.278 . . . . 71.430000000000007 111.142 -175.387 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 74.5 mt -69.31 -40.55 77.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.774 0.321 . . . . 73.340000000000003 110.699 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.8 m -68.03 -23.49 64.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.538 -0.301 . . . . 33.350000000000001 111.319 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 84.7 mt -54.81 -51.86 64.5 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.829 0.347 . . . . 64.109999999999999 111.133 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -37.36 49.67 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.694 -0.402 . . . . 75.430000000000007 111.311 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.9 t -71.39 -12.46 61.43 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.992 0.367 . . . . 62.310000000000002 111.992 -174.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.411 HD23 ' HE2' ' A' ' 48' ' ' LYS . 21.0 tp . . . . . 0 C--N 1.324 -0.518 0 CA-C-O 120.876 0.369 . . . . 73.109999999999999 110.233 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 p30 . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 121.097 0.475 . . . . 71.430000000000007 111.855 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 87' ' ' GLN . 62.0 m -103.04 5.51 38.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.582 -0.735 . . . . 63.119999999999997 110.131 178.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.52 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 52.3 m -97.88 124.35 42.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.68 -0.691 . . . . 73.129999999999995 110.647 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.498 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 47.7 t -99.06 135.76 39.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.904 -0.406 . . . . 71.019999999999996 109.904 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -106.31 112.6 25.68 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.167 -0.469 . . . . 72.310000000000002 110.263 177.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.633 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 93.5 t80 -100.07 118.31 36.17 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.15 -0.685 . . . . 75.5 109.15 176.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 19.6 m -133.04 106.65 7.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.062 0.458 . . . . 71.400000000000006 110.213 -179.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.98 139.36 48.62 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.155 -0.475 . . . . 61.340000000000003 109.866 -178.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -93.03 139.13 30.85 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.902 -0.59 . . . . 74.5 110.143 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -131.04 165.65 22.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.507 -0.315 . . . . 64.049999999999997 110.337 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.95 -55.62 24.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.04 -0.527 . . . . 62.43 111.541 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.431 ' OG1' ' HG2' ' A' ' 41' ' ' GLU . 70.2 p -120.86 159.29 25.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.357 -0.383 . . . . 70.430000000000007 110.106 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.837 ' HG3' HG21 ' A' ' 69' ' ' ILE . 20.7 ttt180 -60.87 -29.32 69.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.268 0.556 . . . . 63.240000000000002 110.092 175.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.41 -45.67 93.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.361 -0.836 . . . . 74.25 110.428 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.431 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 33.2 mm-40 -57.74 -32.68 67.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.693 -0.685 . . . . 73.209999999999994 110.504 175.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.88 -53.17 8.85 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.577 -0.738 . . . . 51.399999999999999 111.702 -174.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.565 ' HG2' HG12 ' A' ' 69' ' ' ILE . 40.0 mt-10 -69.02 -21.02 64.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 50.520000000000003 111.363 -176.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.8 m -79.04 -28.05 43.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.493 -0.321 . . . . 72.319999999999993 110.52 177.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.486 ' O ' HD23 ' A' ' 49' ' ' LEU . 22.1 t80 -74.12 -25.84 60.0 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.466 -0.568 . . . . 74.439999999999998 109.466 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.481 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 50.5 tpp -65.35 -29.73 70.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.593 -0.731 . . . . 74.0 110.764 178.16 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.582 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 3.1 m -56.5 -49.94 73.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.042 0.449 . . . . 65.0 111.205 -178.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.418 ' HB2' ' HE3' ' A' ' 48' ' ' LYS . 16.5 ptmt -73.82 -27.02 60.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.062 -0.517 . . . . 74.430000000000007 110.883 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 45' ' ' PHE . 3.4 mm? -62.24 -37.51 85.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.467 -0.333 . . . . 74.25 110.63 174.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.582 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 35.5 mtpt -53.12 -51.22 62.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.121 0.486 . . . . 61.350000000000001 110.133 173.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -54.84 -51.44 65.88 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.345 -0.843 . . . . 54.119999999999997 110.773 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.11 -48.66 80.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.593 -0.73 . . . . 70.530000000000001 111.417 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.64 -43.83 92.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.535 -0.302 . . . . 72.530000000000001 111.267 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.36 71.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 54.310000000000002 111.305 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.7 -43.01 19.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.299 -0.41 . . . . 71.450000000000003 111.321 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.91 -47.89 76.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 64.340000000000003 111.297 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.511 ' HB3' ' HD2' ' A' ' 84' ' ' PHE . 79.4 p -89.88 133.1 34.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.262 -0.426 . . . . 73.030000000000001 110.263 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -75.31 14.59 0.55 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.139 0.495 . . . . 74.129999999999995 111.296 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.12 -30.18 62.18 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.169 -0.469 . . . . 51.329999999999998 109.777 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 70.62 -50.59 0.67 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.269 -0.878 . . . . 63.140000000000001 112.467 176.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.72 -30.5 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.12 0.485 . . . . 75.340000000000003 110.139 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.24 167.19 11.88 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.545 -0.752 . . . . 55.520000000000003 111.629 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.63 171.69 9.2 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.051 -0.351 . . . . 65.329999999999998 110.051 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.799 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 69.3 m -74.5 90.15 2.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.963 0.411 . . . . 70.430000000000007 110.092 176.191 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 3.4 p -101.39 116.42 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.628 0.728 . . . . 53.200000000000003 111.808 -175.15 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.79 96.75 7.8 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.172 -0.922 . . . . 43.43 108.682 170.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 31.8 p90 -106.84 152.86 23.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.001 0.429 . . . . 74.310000000000002 111.048 -173.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HG2' ' HB3' ' A' ' 79' ' ' ASP . 0.7 OUTLIER -144.63 148.8 34.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.648 -0.705 . . . . 75.030000000000001 109.781 178.237 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.837 HG21 ' HG3' ' A' ' 39' ' ' ARG . 4.0 mp -120.04 109.51 26.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 108.68 -0.859 . . . . 70.099999999999994 108.68 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.741 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 22.6 tptm -96.72 119.39 35.12 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.383 0.611 . . . . 53.43 111.047 -173.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.48 105.38 7.5 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.883 -1.053 . . . . 73.019999999999996 109.72 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 77' ' ' GLU . 94.5 mt -106.93 -175.75 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.258 0.551 . . . . 72.329999999999998 111.338 -176.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -92.77 100.84 13.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.403 -0.817 . . . . 73.409999999999997 110.502 -177.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.43 -7.04 78.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.022 -0.608 . . . . 51.409999999999997 112.479 178.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 12.6 pt20 -160.19 177.82 10.28 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.271 -0.64 . . . . 71.310000000000002 109.271 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.591 HG21 ' HA ' ' A' ' 39' ' ' ARG . 27.0 m -131.87 150.73 34.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.085 -0.339 . . . . 74.430000000000007 110.085 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.741 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 35.5 tt0 -105.52 113.91 27.77 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.901 -0.59 . . . . 74.439999999999998 109.706 179.24 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -98.38 114.19 26.43 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.514 -0.921 . . . . 74.530000000000001 108.514 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.633 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 19.7 t70 -128.0 135.82 50.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.112 -0.494 . . . . 44.240000000000002 110.212 -177.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.552 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -143.42 124.88 14.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.375 -0.375 . . . . 55.119999999999997 110.845 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.494 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -100.17 101.5 12.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.057 -0.52 . . . . 73.340000000000003 110.398 177.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' A' ' 29' ' ' THR . 97.1 m-85 -91.52 111.47 22.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.535 -0.302 . . . . 62.530000000000001 110.486 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.799 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 34.1 m -95.95 105.79 17.86 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.756 -0.461 . . . . 65.129999999999995 109.756 175.069 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.511 ' HD2' ' HB3' ' A' ' 57' ' ' SER . 94.7 m-85 -86.22 150.02 24.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.949 -0.569 . . . . 53.32 110.492 -178.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.3 m -64.48 -30.98 72.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.325 0.584 . . . . 61.109999999999999 110.544 177.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.584 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 55.8 m -126.81 142.79 51.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.799 -0.637 . . . . 73.109999999999999 109.627 177.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.422 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 29.0 tt0 -66.98 -28.85 68.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.721 0.295 . . . . 74.329999999999998 110.842 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.443 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.54 -39.13 70.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 52.439999999999998 110.827 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.584 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 2.1 mm-40 -67.2 -28.59 68.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.051 -0.522 . . . . 50.32 110.295 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.498 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 16.8 tmm? -75.61 -49.36 18.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.609 . . . . 72.340000000000003 110.646 -177.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 4.7 pt -66.58 -35.97 76.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.239 0.459 . . . . 70.019999999999996 112.239 -177.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 88' ' ' ALA . 36.8 pt -69.63 -29.71 42.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-O 121.166 0.508 . . . . 72.239999999999995 110.354 177.125 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.592 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 61.8 t80 -64.59 -46.57 82.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.565 -0.743 . . . . 75.409999999999997 109.956 176.382 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -56.78 -47.59 79.79 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.952 -0.567 . . . . 74.420000000000002 111.307 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 70.5 mt -54.56 -40.22 68.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.671 -0.695 . . . . 71.150000000000006 110.957 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.6 m -83.31 -20.74 33.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.644 -0.707 . . . . 55.210000000000001 111.973 -173.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 79.9 mt -66.17 -52.53 47.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.841 0.353 . . . . 72.530000000000001 111.041 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -75.84 -29.36 58.57 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.685 -0.406 . . . . 74.439999999999998 111.04 -177.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.2 m -75.46 1.79 13.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.616 0.246 . . . . 72.439999999999998 111.447 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 75.010000000000005 111.269 -178.561 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.526 ' HB3' ' H ' ' A' ' 29' ' ' THR . 19.0 m-80 . . . . . 0 N--CA 1.464 0.226 0 CA-C-O 120.585 0.231 . . . . 74.450000000000003 110.547 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.3 p -111.24 -7.99 14.4 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.264 -1.013 . . . . 64.420000000000002 108.264 167.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.526 ' H ' ' HB3' ' A' ' 27' ' ' ASN . 9.6 m -108.26 125.67 51.94 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.534 -1.212 . . . . 73.219999999999999 110.4 -178.375 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.405 ' OG ' ' HG3' ' A' ' 90' ' ' MET . 73.9 m -97.41 103.54 15.49 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.867 -0.606 . . . . 74.420000000000002 110.474 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.823 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -98.3 112.42 24.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.867 0.842 . . . . 61.409999999999997 109.311 175.14 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.43 ' HE2' ' HZ ' ' A' ' 45' ' ' PHE . 34.6 t80 -119.27 118.63 31.76 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.634 -1.166 . . . . 74.510000000000005 110.214 -176.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 1.9 m -111.2 131.11 55.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.854 -0.612 . . . . 63.219999999999999 110.523 -178.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 34' ' ' ARG . 1.1 mmp_? -137.19 144.55 42.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.257 -0.428 . . . . 71.219999999999999 110.671 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -96.7 139.09 33.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.309 -0.405 . . . . 73.409999999999997 110.697 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -137.35 174.93 10.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.203 -0.453 . . . . 72.040000000000006 109.79 177.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.27 -55.9 6.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.823 0.344 . . . . 74.019999999999996 111.255 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.5 159.57 34.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.758 0.313 . . . . 62.420000000000002 111.594 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 15.7 ptt-85 -61.0 -26.49 67.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.86 -0.609 . . . . 65.299999999999997 111.575 -178.3 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.97 -45.82 90.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.361 0.601 . . . . 73.010000000000005 110.134 175.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -57.05 -31.09 64.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.833 -1.076 . . . . 44.409999999999997 110.508 176.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.57 -37.44 59.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.434 -0.803 . . . . 72.010000000000005 110.89 -178.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 45.3 mt-10 -66.33 -41.48 89.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.388 . . . . 52.310000000000002 110.177 178.09 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.8 m -61.61 -30.64 70.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.056 -0.52 . . . . 51.439999999999998 110.786 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.512 ' O ' HD23 ' A' ' 49' ' ' LEU . 62.0 t80 -69.02 -40.12 78.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.219999999999999 109.87 178.018 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 33.1 tpp -66.65 -30.34 70.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.158 -0.474 . . . . 72.120000000000005 110.665 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.5 m -60.45 -45.57 93.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.966 -0.561 . . . . 44.439999999999998 111.279 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 3.0 ptpp? -73.18 -36.31 66.55 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.682 -0.407 . . . . 72.540000000000006 110.687 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.1 mm? -64.54 -38.4 90.89 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.342 -0.39 . . . . 52.420000000000002 111.133 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HE3' HG11 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -52.76 -51.0 62.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 73.030000000000001 111.486 177.143 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -67.06 -36.43 82.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 75.400000000000006 111.066 -177.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 96.5 mt -66.92 -42.46 85.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.115 -0.493 . . . . 73.150000000000006 110.831 178.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.92 78.66 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.107 -0.497 . . . . 53.340000000000003 111.346 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.94 -33.81 76.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.112 -0.494 . . . . 74.25 111.35 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.55 -29.86 23.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.174 0.511 . . . . 60.119999999999997 111.084 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.9 -54.39 7.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.054 -0.521 . . . . 65.409999999999997 111.673 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.609 ' HA ' ' OE2' ' A' ' 89' ' ' GLU . 20.5 p -99.56 131.85 45.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 52.409999999999997 111.784 -174.313 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.7 m -97.98 41.68 1.12 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.655 -0.702 . . . . 72.420000000000002 111.3 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 62' ' ' GLY . . . -78.48 -53.08 7.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.044 -0.525 . . . . 60.439999999999998 110.898 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -166.1 -73.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 74.209999999999994 110.37 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -127.4 13.58 7.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.671 0.748 . . . . 74.230000000000004 109.323 175.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.464 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . 147.73 -161.19 28.5 Favored Glycine 0 N--CA 1.443 -0.889 0 CA-C-N 114.806 -1.088 . . . . 72.519999999999996 110.46 -175.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -114.03 167.24 10.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 117.005 0.402 . . . . 63.539999999999999 110.217 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.749 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 41.1 m -66.62 103.53 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.295 0.372 . . . . 71.319999999999993 110.063 177.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.408 HG11 ' HE3' ' A' ' 50' ' ' LYS . 3.6 p -100.33 115.75 42.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.532 0.682 . . . . 60.310000000000002 110.955 -176.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.22 96.48 6.15 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.305 -0.861 . . . . 72.129999999999995 109.008 172.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 20.4 p90 -118.36 143.39 46.67 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.212 -0.449 . . . . 72.519999999999996 110.96 -174.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -132.43 152.42 51.49 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.674 -0.693 . . . . 72.140000000000001 109.394 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.472 HG12 HD23 ' A' ' 78' ' ' LEU . 54.2 mt -118.16 114.55 45.55 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 CA-C-N 115.729 -0.669 . . . . 74.519999999999996 109.663 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -94.73 113.65 25.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.238 0.542 . . . . 74.319999999999993 109.987 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.711 ' HA ' HG12 ' A' ' 76' ' ' VAL . 12.2 t70 -90.03 97.26 11.08 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.138 -0.937 . . . . 73.040000000000006 109.33 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 46.4 mt -93.18 165.24 12.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.94 -0.573 . . . . 73.310000000000002 110.249 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -77.95 91.96 4.25 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.902 -0.59 . . . . 54.140000000000001 109.876 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.18 -32.49 3.24 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.925 -0.655 . . . . 63.539999999999999 112.42 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.503 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 14.0 pt20 -162.48 174.3 12.87 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.487 -0.56 . . . . 75.430000000000007 109.487 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.711 HG12 ' HA ' ' A' ' 71' ' ' ASP . 24.5 m -128.7 161.18 38.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 C-N-CA 120.984 -0.286 . . . . 73.019999999999996 110.582 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -123.52 124.74 43.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.182 -0.463 . . . . 70.209999999999994 110.463 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.472 HD23 HG12 ' A' ' 69' ' ' ILE . 3.4 tm? -94.09 114.33 26.46 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.344 -0.984 . . . . 64.409999999999997 108.344 173.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -119.51 102.15 8.45 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.034 -0.53 . . . . 70.25 109.983 -175.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' A' ' 31' ' ' LYS . . . -115.75 125.44 52.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.442 -0.345 . . . . 72.310000000000002 111.775 -174.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 31' ' ' LYS . . . -109.53 105.44 14.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.34 -0.391 . . . . 34.539999999999999 110.372 176.199 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -93.21 112.61 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 64.310000000000002 110.184 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.749 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 7.3 m -89.52 106.22 18.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.887 0.375 . . . . 71.349999999999994 110.15 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.524 ' HD1' ' HB3' ' A' ' 57' ' ' SER . 95.9 m-85 -91.7 153.31 19.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.969 -0.56 . . . . 62.539999999999999 111.135 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m -74.4 -21.15 59.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.818 -0.628 . . . . 61.149999999999999 110.752 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.604 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 61.1 m -133.95 150.51 51.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.972 -0.558 . . . . 72.040000000000006 110.127 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -71.44 -30.5 66.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.676 -0.238 . . . . 64.239999999999995 111.452 -178.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.405 ' O ' HG13 ' A' ' 91' ' ' ILE . . . -59.65 -33.92 72.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.714 0.293 . . . . 64.239999999999995 110.821 177.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.609 ' OE2' ' HA ' ' A' ' 57' ' ' SER . 4.2 mm-40 -63.1 -35.3 79.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.866 -0.606 . . . . 73.239999999999995 110.345 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.405 ' HG3' ' OG ' ' A' ' 30' ' ' SER . 37.1 ttp -61.23 -56.21 23.26 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.052 -0.522 . . . . 74.230000000000004 110.881 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 88' ' ' ALA . 2.2 pt -66.34 -43.73 91.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.708 -0.678 . . . . 54.409999999999997 112.439 -174.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.8 pp -63.96 -30.28 49.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.795 -0.362 . . . . 74.109999999999999 110.877 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.767 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 14.7 t80 -71.98 -52.46 16.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.053 -0.521 . . . . 75.030000000000001 110.251 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.403 ' HB3' ' NH2' ' A' ' 98' ' ' ARG . 61.8 mm-40 -56.04 -45.98 79.02 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.908 -0.587 . . . . 73.340000000000003 111.478 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.5 mt -65.67 -52.42 51.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.886 -0.597 . . . . 74.430000000000007 111.623 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 m -50.04 -42.89 50.53 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 111.974 0.361 . . . . 70.400000000000006 111.974 172.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.767 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 62.0 mt -65.76 -34.06 77.3 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.645 0.26 . . . . 73.129999999999995 111.586 -177.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.403 ' NH2' ' HB3' ' A' ' 94' ' ' GLU . 8.3 tpp180 -58.51 -47.96 82.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 72.310000000000002 110.89 -175.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.0 m -90.75 13.89 14.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.133 -0.485 . . . . 73.129999999999995 110.858 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.5 tt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.203 -0.453 . . . . 71.030000000000001 110.848 -178.817 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.347 -0.612 . . . . 71.430000000000007 109.347 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 76.8 m -111.48 -1.07 16.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.313 0.578 . . . . 74.120000000000005 109.955 173.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 61.1 m -114.95 120.33 39.55 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.473 -0.785 . . . . 72.230000000000004 110.635 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.593 ' HB2' ' HG3' ' A' ' 90' ' ' MET . 33.2 t -100.73 127.98 46.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.735 -0.469 . . . . 52.399999999999999 109.735 176.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -108.45 133.4 52.67 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.682 -0.488 . . . . 65.409999999999997 109.682 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -147.02 130.72 16.94 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.754 -0.657 . . . . 75.310000000000002 110.562 -174.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.635 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 71.8 p -135.07 131.11 36.59 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.134 -0.485 . . . . 64.319999999999993 110.112 175.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -130.22 142.97 50.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.127 -0.488 . . . . 73.409999999999997 109.975 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.439 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 60.4 m-85 -88.55 130.41 35.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.149 -0.478 . . . . 64.310000000000002 110.42 -178.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -123.85 170.75 10.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.038 -0.528 . . . . 75.310000000000002 109.998 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.449 ' O ' ' HA ' ' A' ' 75' ' ' GLN . . . -65.64 -59.45 3.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.031 0.443 . . . . 43.009999999999998 111.568 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.7 p -123.5 166.94 14.56 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.224 -0.444 . . . . 52.420000000000002 110.688 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 8.2 ppt_? -65.15 -22.53 66.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.112 0.482 . . . . 71.140000000000001 109.74 176.212 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.36 -46.45 88.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.381 -0.827 . . . . 70.0 110.202 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.11 -29.09 68.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.987 -1.006 . . . . 74.549999999999997 110.557 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -75.56 -43.08 50.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.882 -0.599 . . . . 64.209999999999994 110.624 -179.307 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 33.5 mt-10 -62.69 -40.67 97.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.905 -0.589 . . . . 71.129999999999995 109.711 176.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.6 m -64.36 -34.95 79.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.292 -0.867 . . . . 63.130000000000003 110.472 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.597 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 31.5 t80 -69.47 -50.58 44.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.233 -0.44 . . . . 74.420000000000002 109.915 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.518 ' HE2' HD11 ' A' ' 78' ' ' LEU . 38.6 tpp -56.43 -28.67 60.13 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.759 0.314 . . . . 71.140000000000001 111.387 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.5 m -57.0 -49.66 75.09 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.167 -0.47 . . . . 74.219999999999999 111.388 178.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 19.8 ptmt -73.07 -27.31 61.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.543 -0.299 . . . . 72.510000000000005 111.295 -177.01 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.69 -41.38 95.04 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 110.433 -0.21 . . . . 73.409999999999997 110.433 175.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.3 -41.11 98.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.985 0.421 . . . . 73.310000000000002 110.921 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -61.34 -48.27 82.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.709 -0.678 . . . . 54.420000000000002 110.343 177.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.5 mt -67.29 -42.0 84.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.214 -0.903 . . . . 74.019999999999996 111.695 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.18 -42.7 91.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.458 -0.337 . . . . 54.210000000000001 111.613 -176.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.92 -34.53 78.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 64.510000000000005 111.66 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.17 -33.73 22.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.498 -0.319 . . . . 65.099999999999994 111.747 -178.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.68 -51.24 10.13 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.318 0.488 . . . . 64.239999999999995 112.318 -175.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.72 ' HB3' ' HD1' ' A' ' 84' ' ' PHE . 80.3 p -93.45 169.02 10.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.048 0.452 . . . . 71.230000000000004 111.498 -173.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -90.48 10.32 25.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.491 -0.777 . . . . 63.310000000000002 110.305 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.24 98.24 9.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.763 -0.653 . . . . 64.239999999999995 109.357 176.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.91 -31.14 71.91 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.314 -0.857 . . . . 54.299999999999997 112.254 -171.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -98.89 9.99 42.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.402 0.62 . . . . 65.340000000000003 110.052 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.32 142.56 9.0 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.708 -0.678 . . . . 65.430000000000007 112.397 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.35 152.69 43.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.402 -0.222 . . . . 71.200000000000003 110.402 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.72 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 61.4 m -70.37 94.57 0.96 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.114 -0.494 . . . . 55.439999999999998 110.237 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 5.0 p -111.07 118.78 58.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.355 0.598 . . . . 63.210000000000001 111.586 -176.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.33 101.29 12.23 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.282 -1.007 . . . . 62.100000000000001 108.282 170.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 54.3 p90 -121.83 159.78 26.05 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.94 0.4 . . . . 62.509999999999998 111.649 -172.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.505 ' HG2' ' HB3' ' A' ' 79' ' ' ASP . 9.7 ptpp? -143.29 150.34 39.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.618 -0.719 . . . . 74.239999999999995 109.872 175.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.4 HG12 HD23 ' A' ' 78' ' ' LEU . 66.5 mt -112.13 105.38 18.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 108.685 -0.857 . . . . 65.140000000000001 108.685 173.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.785 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -101.43 114.37 28.31 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.194 -0.602 . . . . 51.450000000000003 110.632 -175.281 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.74 ' HA ' HG12 ' A' ' 76' ' ' VAL . 5.0 p-10 -69.88 127.04 31.52 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.811 -1.086 . . . . 73.409999999999997 109.593 176.145 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.3 mt -116.97 -170.51 1.85 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.441 -0.577 . . . . 74.140000000000001 109.441 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -90.67 99.64 12.63 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.796 0.332 . . . . 70.409999999999997 110.261 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.25 14.07 72.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.214 -0.517 . . . . 70.340000000000003 112.449 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.449 ' HA ' ' O ' ' A' ' 37' ' ' ALA . 14.2 pt20 -174.98 -179.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.455 -0.572 . . . . 64.549999999999997 109.455 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.74 HG12 ' HA ' ' A' ' 71' ' ' ASP . 27.8 m -142.2 156.41 19.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.957 -0.386 . . . . 42.520000000000003 109.957 176.391 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -111.51 118.57 36.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.052 0.453 . . . . 64.019999999999996 110.247 173.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.635 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -90.97 109.95 21.19 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.231 -1.026 . . . . 70.420000000000002 108.231 173.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.505 ' HB3' ' HG2' ' A' ' 68' ' ' LYS . 18.0 t70 -115.87 135.19 54.23 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.696 -0.684 . . . . 74.310000000000002 109.86 -175.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -149.05 140.01 22.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.99 0.424 . . . . 75.109999999999999 111.797 -177.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.502 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -115.69 109.22 17.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.777 -0.647 . . . . 71.349999999999994 109.882 173.639 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.526 ' O ' ' HA ' ' A' ' 29' ' ' THR . 71.6 m-85 -100.3 113.15 25.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.291 -0.413 . . . . 74.140000000000001 111.571 -176.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.72 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 57.9 m -94.76 115.41 27.47 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.763 -0.458 . . . . 71.040000000000006 109.763 173.304 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.72 ' HD1' ' HB3' ' A' ' 57' ' ' SER . 92.4 m-85 -97.61 -177.63 3.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.24 -0.437 . . . . 63.210000000000001 110.71 -178.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 p -104.0 -14.31 15.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.905 0.383 . . . . 53.119999999999997 111.227 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.7 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 27.2 m -137.94 157.82 45.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.47 -0.332 . . . . 53.049999999999997 110.14 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -61.1 -49.97 75.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 73.219999999999999 110.937 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.568 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -56.57 -42.84 79.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.69 -0.686 . . . . 73.409999999999997 110.886 -176.015 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.7 ' HG3' ' HB2' ' A' ' 86' ' ' CYS . 77.4 mt-10 -56.54 -29.94 62.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 71.099999999999994 111.501 -176.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.593 ' HG3' ' HB2' ' A' ' 30' ' ' SER . 52.4 ttp -73.96 -58.52 3.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.077 0.465 . . . . 63.340000000000003 110.457 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.422 ' H ' HG12 ' A' ' 91' ' ' ILE . 1.5 pt -68.4 -32.93 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 112.872 0.693 . . . . 63.210000000000001 112.872 -175.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.568 HG12 ' O ' ' A' ' 88' ' ' ALA . 35.9 pt -70.25 -30.48 43.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 120.563 -0.455 . . . . 73.409999999999997 109.93 176.171 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.603 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 46.4 t80 -64.49 -47.37 79.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.819 -0.628 . . . . 61.219999999999999 109.884 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 90' ' ' MET . 8.0 mt-10 -58.71 -41.79 87.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.712 -0.676 . . . . 72.420000000000002 110.19 178.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.17 -47.16 77.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.019 -0.537 . . . . 72.239999999999995 110.937 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -52.36 -41.8 63.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.44 -0.345 . . . . 74.129999999999995 111.163 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 82.4 mt -57.36 -47.7 80.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.315 0.578 . . . . 74.519999999999996 110.854 178.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -77.31 -33.23 55.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.265 -0.88 . . . . 74.420000000000002 111.474 -174.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 m -78.74 -35.32 44.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.451 -0.341 . . . . 62.140000000000001 111.298 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 40.8 tp . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 120.918 0.389 . . . . 74.540000000000006 110.76 -179.406 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.4 ttp . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 120.933 0.397 . . . . 52.200000000000003 110.501 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.03 139.12 51.66 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.938 -0.393 . . . . 53.119999999999997 109.938 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -133.31 -26.68 1.64 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.704 0.288 . . . . 63.409999999999997 111.503 -176.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -95.83 106.16 18.26 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.181 0.438 . . . . 64.209999999999994 112.181 -170.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -142.52 88.78 2.1 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.97 -0.752 . . . . 74.120000000000005 108.97 171.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.0 p -158.11 123.76 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.936 -0.574 . . . . 74.409999999999997 111.162 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.0 p -154.51 140.56 11.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.748 -0.66 . . . . 71.540000000000006 109.297 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -152.51 97.91 2.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.477 0.656 . . . . 62.43 111.537 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.484 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 3.6 ttpm? -163.31 91.17 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.523 -0.762 . . . . 75.209999999999994 109.733 174.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.4 m -122.47 21.53 10.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.167 -0.47 . . . . 61.340000000000003 110.191 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.3 m -81.19 83.13 6.89 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 121.464 0.65 . . . . 70.420000000000002 111.584 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 t -148.28 134.51 19.41 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.207 -1.034 . . . . 74.0 108.207 174.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -106.95 -29.04 9.69 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.66 -0.416 . . . . 51.439999999999998 111.273 -171.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.68 53.0 5.19 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.702 -0.761 . . . . 63.439999999999998 111.63 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.4 m -73.91 -28.18 61.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.922 0.392 . . . . 73.409999999999997 110.411 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.28 132.62 37.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.104 -0.498 . . . . 71.409999999999997 110.112 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.6 pt -76.03 100.19 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.433 0.635 . . . . 74.530000000000001 111.308 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -128.29 133.28 48.72 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.698 -0.683 . . . . 63.32 109.823 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.501 HD12 ' HB3' ' A' ' 95' ' ' LEU . 6.3 mt -78.88 -19.15 13.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.187 0.518 . . . . 71.120000000000005 109.942 -178.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.46 28.7 7.0 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.89 -0.671 . . . . 72.140000000000001 111.487 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.517 HG22 ' H ' ' A' ' 22' ' ' VAL . 2.0 m -98.6 172.71 7.32 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.189 -0.301 . . . . 72.439999999999998 110.189 -178.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.517 ' H ' HG22 ' A' ' 21' ' ' THR . 27.6 m -73.89 169.76 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.214 0.531 . . . . 73.209999999999994 111.724 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.666 HG23 HG21 ' A' ' 91' ' ' ILE . 3.9 mp -107.18 130.46 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.77 -0.65 . . . . 74.299999999999997 110.384 -177.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -82.77 119.5 24.42 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.569 -0.53 . . . . 61.200000000000003 109.569 173.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 26' ' ' ASP . 6.2 t30 -109.76 112.9 25.22 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.297 -0.41 . . . . 52.140000000000001 111.49 -175.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 15.1 t70 179.22 -48.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 O-C-N 123.95 0.781 . . . . 72.299999999999997 110.133 170.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -127.09 -179.38 4.83 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.57 0.7 . . . . 63.530000000000001 111.779 -175.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 p -120.8 -14.7 8.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.651 -1.159 . . . . 73.219999999999999 108.688 169.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 97.9 m -98.28 119.22 36.57 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.148 -0.933 . . . . 43.409999999999997 109.595 173.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.6 t -97.78 148.53 23.29 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.904 -0.406 . . . . 70.439999999999998 109.904 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -122.64 113.24 18.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.915 -0.772 . . . . 72.540000000000006 108.915 -178.698 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.566 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 92.9 t80 -103.87 116.36 32.14 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.669 -0.696 . . . . 75.209999999999994 110.45 -176.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 1.3 p -114.2 135.22 54.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.0 -0.546 . . . . 74.319999999999993 111.585 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.69 147.42 31.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.147 -0.933 . . . . 74.519999999999996 109.253 174.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.4 ' CE1' ' HG2' ' A' ' 77' ' ' GLU . 34.5 m-85 -108.59 124.74 50.95 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.774 -0.454 . . . . 73.010000000000005 109.774 -178.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.477 ' HB3' ' CB ' ' A' ' 41' ' ' GLU . 94.8 m-85 -119.91 166.07 13.8 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.123 -0.49 . . . . 64.140000000000001 110.071 -177.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.0 -30.29 50.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.202 0.314 . . . . 41.43 111.504 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.9 p -131.12 155.5 46.87 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 121.058 -0.257 . . . . 51.009999999999998 110.437 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -62.6 -26.39 68.58 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.723 -0.473 . . . . 74.040000000000006 109.723 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -58.97 -53.43 58.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.675 -0.693 . . . . 74.310000000000002 110.428 173.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' CB ' ' HB3' ' A' ' 36' ' ' PHE . 16.1 mm-40 -52.71 -34.04 50.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.621 -0.718 . . . . 55.229999999999997 111.055 177.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.95 -51.97 28.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.908 -0.587 . . . . 54.43 110.879 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.67 -23.93 61.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 111.584 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.7 m -71.07 -34.11 70.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.862 0.363 . . . . 64.540000000000006 110.275 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.401 ' O ' HD23 ' A' ' 49' ' ' LEU . 5.3 t80 -76.7 -27.31 55.45 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.651 -0.5 . . . . 72.540000000000006 109.651 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.408 ' HE2' HD11 ' A' ' 78' ' ' LEU . 42.1 tpp -60.57 -32.91 71.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.738 -0.664 . . . . 73.329999999999998 110.647 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.438 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 38.4 m -54.73 -53.6 52.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.002 -0.544 . . . . 73.299999999999997 111.177 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.509 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 14.0 ptmt -70.74 -26.82 63.54 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.81 -0.356 . . . . 74.5 111.485 -177.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.0 mm? -62.25 -41.99 98.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.291 -0.263 . . . . 74.230000000000004 110.291 172.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.559 ' HE2' HG11 ' A' ' 65' ' ' VAL . 25.9 mmtp -63.1 -41.12 99.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.596 0.236 . . . . 75.420000000000002 111.016 175.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.509 ' OE1' ' HA ' ' A' ' 48' ' ' LYS . 43.9 mt-10 -59.07 -44.42 91.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.137 0.494 . . . . 71.109999999999999 109.989 177.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.539 HD21 HD22 ' A' ' 100' ' ' LEU . 65.1 mt -70.67 -37.47 73.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.485 -0.779 . . . . 74.109999999999999 111.644 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.95 87.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.413 -0.358 . . . . 41.109999999999999 111.115 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.35 -30.39 71.22 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.306 -0.406 . . . . 50.039999999999999 111.468 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.09 -46.12 24.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.357 -0.383 . . . . 44.340000000000003 110.775 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.75 -50.79 47.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.067 -0.515 . . . . 63.509999999999998 111.339 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.5 p -114.36 120.61 40.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.911 -0.586 . . . . 63.109999999999999 110.07 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 m -71.71 -84.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.381 -0.372 . . . . 72.140000000000001 110.346 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 54.16 -164.97 0.1 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.948 0.88 . . . . 62.0 111.376 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.57 -50.37 11.67 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.689 -1.142 . . . . 61.340000000000003 110.005 175.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -130.0 17.56 5.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.853 -0.612 . . . . 73.420000000000002 110.719 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.35 -176.78 38.89 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.876 -0.678 . . . . 65.329999999999998 112.054 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' A' ' 83' ' ' THR . . . -67.5 167.87 11.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.884 0.373 . . . . 75.349999999999994 111.204 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.772 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 23.3 m -72.6 140.5 48.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.135 -0.484 . . . . 73.219999999999999 110.139 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.559 HG11 ' HE2' ' A' ' 50' ' ' LYS . 4.7 p -135.88 116.46 18.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.569 0.7 . . . . 64.299999999999997 111.368 -176.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.23 106.96 13.86 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.496 -0.775 . . . . 63.039999999999999 109.119 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.521 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 46.0 p90 -101.11 147.55 26.1 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.087 0.47 . . . . 73.439999999999998 111.69 -171.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.569 ' HD2' ' HB3' ' A' ' 79' ' ' ASP . 77.7 mttt -106.58 138.96 41.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.564 -0.744 . . . . 75.439999999999998 109.958 173.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.1 mt -134.82 103.67 4.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 114.897 -1.047 . . . . 72.140000000000001 109.006 172.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.67 ' HE3' HD21 ' A' ' 72' ' ' LEU . 63.3 tttp -105.06 119.12 38.24 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.103 0.478 . . . . 72.099999999999994 110.111 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.45 96.11 7.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.97 -1.014 . . . . 74.319999999999993 109.29 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.67 HD21 ' HE3' ' A' ' 70' ' ' LYS . 96.9 mt -96.17 -176.05 3.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.174 0.512 . . . . 75.230000000000004 111.025 -177.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.84 97.22 10.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.827 -0.624 . . . . 74.099999999999994 110.4 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.07 -15.95 57.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.627 -0.797 . . . . 71.129999999999995 112.588 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.493 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 14.5 pt20 -152.6 176.26 11.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.74 0.305 . . . . 73.129999999999995 110.206 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.7 m -138.15 154.46 28.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.191 -0.458 . . . . 51.299999999999997 110.368 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 70' ' ' LYS . 89.0 mt-10 -102.72 114.98 29.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.198 -0.455 . . . . 61.109999999999999 110.483 175.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.548 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -104.34 111.08 23.57 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.282 -1.007 . . . . 73.450000000000003 108.282 173.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.569 ' HB3' ' HD2' ' A' ' 68' ' ' LYS . 37.8 t70 -133.73 103.1 5.72 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.935 -0.575 . . . . 71.329999999999998 109.811 -177.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.521 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -102.95 124.52 48.61 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.19 -0.459 . . . . 62.420000000000002 111.276 -175.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.35 113.68 25.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.802 -0.635 . . . . 74.430000000000007 110.389 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.502 ' O ' ' HA ' ' A' ' 29' ' ' THR . 79.3 m-85 -103.02 112.77 25.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.854 -0.612 . . . . 65.219999999999999 110.723 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.772 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 86.0 m -90.15 104.36 16.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.162 -0.472 . . . . 63.130000000000003 110.33 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.481 ' HB3' ' HG3' ' A' ' 89' ' ' GLU . 96.5 m-85 -91.34 167.45 12.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.932 -0.576 . . . . 63.140000000000001 110.198 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -92.17 -28.72 16.89 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.426 0.632 . . . . 75.030000000000001 109.548 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.636 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 4.0 m -122.85 163.04 21.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.644 -0.707 . . . . 64.319999999999993 109.546 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.549 ' O ' HG12 ' A' ' 91' ' ' ILE . 24.4 tt0 -81.88 -32.56 30.99 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.713 -0.395 . . . . 72.340000000000003 109.941 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.81 -50.02 69.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.751 -0.659 . . . . 60.140000000000001 111.004 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.636 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 7.0 pt-20 -67.67 -25.84 65.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.455 . . . . 73.409999999999997 111.367 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.5 tmm? -73.24 -53.62 10.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.815 0.34 . . . . 60.149999999999999 110.619 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.666 HG21 HG23 ' A' ' 23' ' ' ILE . 19.5 pt -63.75 -40.92 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.166 0.432 . . . . 61.450000000000003 112.166 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 pp -66.32 -29.03 45.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 120.983 0.42 . . . . 73.109999999999999 110.685 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.556 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 75.8 t80 -62.63 -48.29 80.02 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.492 -0.559 . . . . 64.409999999999997 109.492 174.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -56.66 -41.62 77.54 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.987 -0.551 . . . . 73.230000000000004 111.091 174.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 42.6 mt -61.66 -52.37 64.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.074 -0.512 . . . . 74.109999999999999 110.192 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.4 m -53.69 -41.48 66.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.66 -0.7 . . . . 43.130000000000003 111.364 175.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 93.7 mt -58.87 -46.76 87.01 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.936 0.398 . . . . 65.299999999999997 110.548 177.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -64.26 -29.9 70.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.703 -0.68 . . . . 74.329999999999998 111.408 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.3 t -80.64 -42.99 21.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.077 -0.51 . . . . 74.239999999999995 111.31 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.539 HD22 HD21 ' A' ' 52' ' ' LEU . 15.6 tp -90.63 -56.8 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 72.25 111.64 -173.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.89 -38.54 45.53 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.654 -0.498 . . . . 72.129999999999995 109.654 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 65.74 -59.41 0.3 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 114.76 -1.109 . . . . 74.420000000000002 113.193 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -75.47 78.37 2.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.781 0.8 . . . . 71.049999999999997 112.133 -171.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -116.44 53.54 0.87 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.449 -1.685 . . . . 54.350000000000001 106.449 165.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 66.8 -81.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 113.809 -1.541 . . . . 73.409999999999997 109.829 -167.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -177.08 -84.02 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.759 0.314 . . . . 64.049999999999997 110.339 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -101.98 87.45 3.1 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.655 -0.498 . . . . 72.319999999999993 109.655 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -82.18 -47.36 12.59 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.968 0.413 . . . . 70.239999999999995 110.093 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 8.1 m170 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 117.981 -1.009 . . . . 64.329999999999998 109.667 177.114 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 121.219 0.533 . . . . 64.439999999999998 110.107 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.72 104.9 6.47 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.048 -0.524 . . . . 60.530000000000001 110.337 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.478 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 24.9 ptp -113.41 -25.34 8.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.319 -0.401 . . . . 65.200000000000003 111.327 -176.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.478 ' HG3' ' HG3' ' A' ' 3' ' ' MET . 51.8 mtpt -138.12 121.67 17.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.892 0.377 . . . . 54.439999999999998 110.713 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -151.39 122.66 7.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.939 -0.573 . . . . 61.210000000000001 109.786 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.1 m -144.96 148.83 17.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.725 0.298 . . . . 70.239999999999995 110.86 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.1 p -128.77 87.86 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 122.158 0.98 . . . . 40.43 109.517 173.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -114.97 11.76 16.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.341 -0.845 . . . . 74.439999999999998 111.281 -173.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -108.94 107.54 17.95 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.662 -0.699 . . . . 61.340000000000003 109.561 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 p -145.41 94.89 2.58 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.277 0.561 . . . . 65.219999999999999 110.167 177.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.5 t -113.93 103.68 11.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.71 -0.677 . . . . 71.519999999999996 110.256 -177.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 m -95.46 118.45 32.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.989 -0.551 . . . . 64.450000000000003 110.088 177.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -159.78 169.89 22.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.191 -0.459 . . . . 75.439999999999998 109.833 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.76 96.99 1.87 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.614 -0.803 . . . . 74.430000000000007 113.353 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.1 m -111.39 108.36 17.91 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.182 -0.673 . . . . 73.200000000000003 109.182 173.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -128.93 178.79 6.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.96 0.41 . . . . 64.450000000000003 111.053 -175.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.1 tt -81.27 111.22 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.68 0.753 . . . . 75.420000000000002 110.294 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -102.58 106.42 17.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.358 -0.837 . . . . 65.400000000000006 110.416 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.5 mm -61.37 -34.88 63.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.569 -0.741 . . . . 75.0 110.361 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.95 -70.33 2.33 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.589 -0.732 . . . . 73.439999999999998 113.557 174.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -79.33 -11.97 59.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.302 0.572 . . . . 63.009999999999998 112.028 -171.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.523 ' O ' HD12 ' A' ' 23' ' ' ILE . 42.9 t -131.06 84.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.157 -0.474 . . . . 63.350000000000001 110.492 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.523 HD12 ' O ' ' A' ' 22' ' ' VAL . 1.5 mp -128.56 126.5 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.023 -0.535 . . . . 51.039999999999999 109.863 177.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -111.69 -163.2 0.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.128 -0.693 . . . . 74.219999999999999 109.128 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -167.56 40.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.053 0.454 . . . . 71.140000000000001 110.823 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -83.8 96.55 8.79 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.038 -0.528 . . . . 64.040000000000006 111.519 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 71.95 161.73 0.24 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.355 -0.839 . . . . 74.140000000000001 111.454 175.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 p -96.45 -6.03 38.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.348 0.594 . . . . 71.239999999999995 110.043 175.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 85.3 m -109.52 128.36 55.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.321 -0.854 . . . . 73.25 109.956 176.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 t -97.65 117.55 32.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.273 -0.421 . . . . 61.25 110.259 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -101.15 113.34 26.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.887 -0.597 . . . . 73.310000000000002 110.231 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -116.56 121.56 42.12 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.815 -0.629 . . . . 74.219999999999999 110.213 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.9 p -127.38 122.46 33.71 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.248 0.547 . . . . 63.130000000000003 111.275 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.493 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -141.2 144.75 34.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.88 -0.6 . . . . 74.439999999999998 110.321 178.65 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 70.2 m-85 -104.99 130.08 53.28 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.297 -0.41 . . . . 72.420000000000002 110.179 -178.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -126.37 -174.64 3.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.776 -0.647 . . . . 75.420000000000002 109.734 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.496 ' HB3' ' HG3' ' A' ' 41' ' ' GLU . . . -76.42 -70.5 0.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.871 0.367 . . . . 51.119999999999997 111.809 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.7 p -111.1 166.71 10.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.784 0.326 . . . . 61.409999999999997 111.076 -174.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -57.29 -28.2 62.82 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.181 0.515 . . . . 73.519999999999996 110.381 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.42 -42.52 78.81 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.653 -0.703 . . . . 61.439999999999998 110.521 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.496 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 10.8 mm-40 -55.18 -33.37 62.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.353 -0.839 . . . . 71.040000000000006 110.339 175.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.708 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -74.92 -48.63 23.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.399 -0.818 . . . . 54.409999999999997 110.451 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -56.64 -43.22 80.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.799 -0.637 . . . . 71.209999999999994 110.693 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.0 m -65.22 -30.9 71.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.636 -0.711 . . . . 74.140000000000001 111.595 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.494 ' O ' HD23 ' A' ' 49' ' ' LEU . 34.1 t80 -79.62 -34.27 40.74 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 120.383 -0.527 . . . . 75.200000000000003 109.706 -177.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.511 ' HG3' ' HE3' ' A' ' 50' ' ' LYS . 40.4 tpp -67.59 -24.75 65.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.987 -0.551 . . . . 73.209999999999994 110.84 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 39.6 m -57.39 -46.53 83.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.331 -0.395 . . . . 55.310000000000002 111.882 -178.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -70.78 -27.7 64.11 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.758 -0.377 . . . . 70.530000000000001 111.087 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.662 HD12 ' HZ ' ' A' ' 93' ' ' PHE . 4.5 mm? -65.92 -29.81 70.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.354 . . . . 73.409999999999997 110.599 176.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.511 ' HE3' ' HG3' ' A' ' 46' ' ' MET . 2.2 mptm? -59.15 -49.38 78.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.355 -0.384 . . . . 65.219999999999999 110.773 176.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -60.81 -45.37 94.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 71.439999999999998 110.4 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.99 -47.15 78.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.313 -0.858 . . . . 75.129999999999995 111.316 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.56 78.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.747 0.308 . . . . 61.329999999999998 111.467 -177.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.41 -33.37 74.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.323 -0.399 . . . . 64.530000000000001 111.135 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.28 -30.63 23.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.252 -0.431 . . . . 64.299999999999997 111.288 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.09 -2.58 52.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 74.310000000000002 112.084 -175.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.5 p -111.49 103.07 11.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.499 0.666 . . . . 74.400000000000006 110.59 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.7 m -103.08 -6.7 22.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.66 -0.7 . . . . 61.229999999999997 110.49 -178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.74 83.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.551 . . . . 65.209999999999994 110.12 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 27.8 t70 -177.1 -87.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.6 -0.727 . . . . 72.329999999999998 109.818 175.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 27.5 mt-10 -161.44 7.32 0.07 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.303 -0.862 . . . . 73.120000000000005 108.882 176.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.34 60.42 4.71 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.14 -0.936 . . . . 72.549999999999997 112.686 -174.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.28 123.58 43.68 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.063 -0.717 . . . . 75.209999999999994 109.063 174.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.55 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 68.0 m -98.58 100.52 11.76 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 120.845 0.355 . . . . 71.430000000000007 110.636 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 p -100.5 115.89 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-O 121.595 0.712 . . . . 41.149999999999999 110.392 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.24 96.25 5.7 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.175 -0.92 . . . . 72.430000000000007 109.45 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.544 ' HA ' ' O ' ' A' ' 79' ' ' ASP . 15.9 p90 -117.78 139.51 50.97 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.612 -0.435 . . . . 72.25 110.54 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.849 ' HG2' ' HB3' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -115.91 154.08 30.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.849 -0.614 . . . . 64.120000000000005 109.57 176.87 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 64.7 mt -112.73 103.92 16.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 N-CA-C 108.901 -0.777 . . . . 73.420000000000002 108.901 172.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.809 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 22.2 tptm -80.85 103.04 10.41 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.395 0.617 . . . . 75.299999999999997 109.946 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.515 ' HA ' HG12 ' A' ' 76' ' ' VAL . 17.3 t70 -78.98 108.54 12.54 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.563 -1.199 . . . . 71.450000000000003 110.105 -176.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 28.8 mt -119.05 171.51 8.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.046 -0.524 . . . . 65.140000000000001 109.633 177.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -84.93 106.24 16.29 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.715 -0.675 . . . . 72.450000000000003 110.714 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.34 -10.2 61.31 Favored Glycine 0 C--O 1.237 0.312 0 C-N-CA 121.127 -0.559 . . . . 65.140000000000001 112.847 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.494 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 12.3 pt20 -167.45 165.66 14.72 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.231 -0.285 . . . . 75.010000000000005 110.231 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 71' ' ' ASP . 28.2 m -136.72 154.66 32.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.651 -0.25 . . . . 70.200000000000003 110.386 178.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.809 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 37.0 tt0 -105.73 115.08 29.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.056 -0.52 . . . . 72.310000000000002 110.13 175.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.708 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.1 tm? -90.36 109.78 20.88 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.977 -1.12 . . . . 65.040000000000006 107.977 173.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.849 ' HB3' ' HG2' ' A' ' 68' ' ' LYS . 11.7 t70 -115.63 108.86 16.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.57 -0.741 . . . . 73.439999999999998 110.082 -173.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.68 141.34 47.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.174 0.511 . . . . 71.319999999999993 111.984 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -130.79 109.74 10.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.588 -0.733 . . . . 54.539999999999999 109.85 174.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 29' ' ' THR . 88.6 m-85 -103.61 111.62 24.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.575 -0.284 . . . . 74.239999999999995 110.691 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.55 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 90.4 m -102.75 115.12 29.96 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.797 0.332 . . . . 60.310000000000002 110.202 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -100.76 160.51 14.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.29 -0.413 . . . . 74.400000000000006 110.858 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -66.72 -36.15 81.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.936 -0.575 . . . . 74.140000000000001 110.565 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.728 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 33.8 m -118.91 148.71 42.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.819 -0.628 . . . . 71.439999999999998 109.631 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.437 ' O ' HG12 ' A' ' 91' ' ' ILE . 52.6 tt0 -69.08 -28.96 66.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.941 0.4 . . . . 64.25 110.081 176.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.483 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.39 -41.04 72.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.635 -0.711 . . . . 73.150000000000006 111.032 177.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.728 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 1.6 mm-40 -64.39 -32.02 73.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.534 . . . . 64.099999999999994 110.353 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.401 ' O ' ' HB3' ' A' ' 93' ' ' PHE . 8.5 tmm? -71.6 -51.03 25.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 62.409999999999997 110.299 -177.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.556 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.4 pt -66.13 -38.25 81.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.29 0.478 . . . . 65.329999999999998 112.29 -176.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 88' ' ' ALA . 30.8 pt -67.06 -29.46 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 O-C-N 121.887 -0.508 . . . . 73.319999999999993 110.106 176.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.662 ' HZ ' HD12 ' A' ' 49' ' ' LEU . 88.0 t80 -69.22 -51.24 39.73 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.537 -0.756 . . . . 74.25 110.902 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -67.75 -32.86 73.75 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 111.774 0.287 . . . . 74.430000000000007 111.774 -177.042 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 88.2 mt -61.43 -49.79 75.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.014 0.435 . . . . 71.540000000000006 110.358 174.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.9 m -57.93 -32.29 67.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.475 -0.784 . . . . 53.240000000000002 111.669 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 87.0 mt -62.7 -47.69 82.52 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.009 0.433 . . . . 71.450000000000003 110.896 178.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.632 ' O ' ' HB3' ' A' ' 102' ' ' LEU . 66.7 mtt85 -70.22 -37.39 75.01 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.721 -0.672 . . . . 75.239999999999995 111.274 -176.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.9 m -79.4 9.17 5.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.953 0.406 . . . . 63.5 111.439 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.6 tp -121.29 -62.08 1.47 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.945 0.402 . . . . 55.109999999999999 110.858 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.04 35.99 3.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.877 -0.602 . . . . 72.219999999999999 110.612 -175.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.69 ' H ' HD23 ' A' ' 102' ' ' LEU . 1.2 pt? -53.6 -53.7 48.05 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.912 -0.585 . . . . 64.040000000000006 111.993 178.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.526 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 42.4 mt-10 60.39 -77.88 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.207 0.603 . . . . 62.409999999999997 111.167 -173.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -78.7 126.41 30.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.689 -0.687 . . . . 72.120000000000005 110.41 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.91 153.58 22.77 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.894 0.378 . . . . 73.0 110.78 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -161.13 122.33 2.88 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.994 -0.548 . . . . 62.009999999999998 109.556 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -145.35 95.73 2.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.217 0.532 . . . . 71.340000000000003 110.26 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -161.7 123.65 2.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.839 -0.618 . . . . 62.210000000000001 109.749 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 . . . . . 0 C--O 1.244 0.792 0 CA-C-O 118.374 -0.822 . . . . 72.140000000000001 110.039 178.877 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.0 mtp . . . . . 0 N--CA 1.479 0.975 0 CA-C-O 120.944 0.402 . . . . 72.299999999999997 110.349 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.93 50.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.107 -0.951 . . . . 74.209999999999994 109.37 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.1 ttt -91.04 107.93 19.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.266 0.555 . . . . 72.439999999999998 111.868 -173.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 12.13 18.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.419 -0.809 . . . . 75.140000000000001 108.994 173.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -56.32 121.44 9.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.201 -0.909 . . . . 72.239999999999995 111.41 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.83 133.95 5.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.877 -0.601 . . . . 64.400000000000006 110.464 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -125.1 121.38 60.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.902 -0.59 . . . . 74.340000000000003 109.526 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -90.05 103.71 16.35 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.943 -0.391 . . . . 74.219999999999999 109.943 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -166.5 88.56 0.36 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.449 -0.796 . . . . 72.25 109.672 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.6 t -118.1 150.28 39.6 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.783 -0.644 . . . . 74.209999999999994 109.954 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.5 t -128.43 138.13 52.17 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.837 -0.431 . . . . 75.409999999999997 109.837 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -158.26 146.5 18.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.404 -0.362 . . . . 70.420000000000002 110.105 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -168.49 173.8 7.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.478 -0.328 . . . . 65.099999999999994 110.434 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.82 49.24 1.66 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.592 -0.813 . . . . 41.399999999999999 112.293 176.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.1 m -89.52 93.49 9.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.233 0.54 . . . . 70.239999999999995 110.552 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -141.27 22.77 2.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.802 -0.636 . . . . 63.43 109.685 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.5 mm 73.74 110.57 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 CA-C-N 114.858 -1.065 . . . . 74.329999999999998 110.392 -175.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -134.09 126.25 29.7 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.255 -1.339 . . . . 75.099999999999994 109.964 -175.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.624 HD12 ' HB2' ' A' ' 95' ' ' LEU . 6.8 pt -122.32 99.47 6.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.377 0.608 . . . . 74.209999999999994 110.964 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.15 84.9 0.37 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.792 -0.718 . . . . 53.439999999999998 112.263 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -155.96 153.26 29.29 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.931 -0.396 . . . . 61.219999999999999 109.931 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.9 t 62.01 86.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 121.396 0.617 . . . . 64.349999999999994 110.93 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.6 mp -79.88 93.0 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.353 0.597 . . . . 54.200000000000003 109.783 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -92.33 88.65 6.51 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.474 -0.785 . . . . 72.010000000000005 109.6 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -81.41 143.34 32.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.65 -0.705 . . . . 75.25 111.418 -176.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -166.38 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.963 -1.017 . . . . 72.340000000000003 108.827 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -138.56 -178.33 5.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.394 -0.821 . . . . 62.329999999999998 109.248 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 63.1 m -100.68 11.75 38.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.987 0.898 . . . . 64.230000000000004 109.112 172.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.8 m -127.83 130.84 49.3 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.172 -1.376 . . . . 73.140000000000001 108.867 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.2 t -97.77 113.27 25.01 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.01 0.433 . . . . 65.129999999999995 110.628 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -98.06 112.68 24.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.688 -0.687 . . . . 65.25 109.444 173.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -123.72 118.03 26.29 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.177 -0.465 . . . . 71.319999999999993 110.15 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.4 m -117.44 131.55 56.73 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.204 0.526 . . . . 63.399999999999999 110.58 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.585 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 2.9 mmp_? -134.21 150.35 51.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.79 -0.641 . . . . 55.219999999999999 110.602 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -107.46 132.29 53.37 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.797 -0.445 . . . . 74.140000000000001 109.797 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.423 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 73.4 m-85 -127.84 171.51 11.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.316 -0.402 . . . . 74.329999999999998 110.32 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.42 -54.55 13.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.821 0.344 . . . . 62.229999999999997 111.31 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.2 p -128.16 167.47 16.77 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 121.05 -0.26 . . . . 72.420000000000002 110.517 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -60.34 -25.63 65.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.175 0.512 . . . . 71.129999999999995 110.097 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -61.45 -51.04 70.33 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.352 -0.84 . . . . 75.540000000000006 110.338 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.423 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 6.0 mm-40 -55.62 -31.2 62.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.92 -1.036 . . . . 72.439999999999998 110.753 178.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.63 -52.79 9.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.455 -0.793 . . . . 75.239999999999995 111.392 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.48 -33.93 75.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.319 -0.401 . . . . 72.540000000000006 111.1 -177.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.8 m -62.94 -28.24 69.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.992 0.425 . . . . 71.299999999999997 111.07 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.552 ' O ' HD23 ' A' ' 49' ' ' LEU . 74.0 t80 -79.96 -36.57 35.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 51.549999999999997 110.59 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 42.1 tpp -71.06 -29.62 65.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.127 -0.488 . . . . 74.400000000000006 111.924 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.68 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 28.1 m -53.79 -51.81 62.27 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.935 0.346 . . . . 65.209999999999994 111.935 -177.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -73.58 -28.12 61.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.809 0.338 . . . . 51.109999999999999 111.243 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 45' ' ' PHE . 3.8 mm? -62.86 -36.89 84.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.385 -0.37 . . . . 64.040000000000006 110.644 176.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.68 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 32.9 mttt -58.03 -42.91 86.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 63.149999999999999 110.962 176.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -68.28 -45.48 72.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 73.310000000000002 110.141 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.24 -38.34 88.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.654 -0.703 . . . . 63.350000000000001 111.138 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.47 -33.05 73.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 64.310000000000002 111.492 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.802 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . . . -70.47 -45.29 66.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.908 0.385 . . . . 63.25 110.787 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.94 82.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.782 -0.645 . . . . 65.040000000000006 111.716 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.91 -13.11 48.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.986 0.365 . . . . 63.109999999999999 111.986 -176.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 82.3 p -74.17 139.68 44.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.115 0.483 . . . . 74.340000000000003 110.884 -177.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.55 -26.66 68.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.571 -0.741 . . . . 41.210000000000001 111.152 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 61' ' ' GLU . . . -92.18 -1.73 56.97 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.464 0.542 . . . . 73.010000000000005 112.464 -173.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.32 -26.02 0.16 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.192 0.812 . . . . 72.120000000000005 113.192 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 59' ' ' ALA . 9.6 mm-40 -66.55 -56.37 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.335 0.588 . . . . 71.540000000000006 110.482 177.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.802 ' HA2' ' HA ' ' A' ' 54' ' ' ALA . . . 163.74 159.39 10.72 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 115.191 -0.913 . . . . 45.549999999999997 110.915 -177.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -87.01 153.7 21.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.807 0.304 . . . . 74.140000000000001 110.487 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.844 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 19.8 m -65.55 97.93 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.242 -0.436 . . . . 74.420000000000002 109.836 176.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.461 HG22 ' HD2' ' A' ' 67' ' ' TYR . 4.3 p -103.22 116.94 47.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.516 0.674 . . . . 74.5 111.084 -177.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.14 100.82 9.15 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.445 -0.798 . . . . 61.219999999999999 109.0 172.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.461 ' HD2' HG22 ' A' ' 65' ' ' VAL . 44.0 p90 -112.68 143.4 43.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.915 0.388 . . . . 74.010000000000005 111.132 -175.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -135.02 154.08 51.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.75 -0.659 . . . . 71.129999999999995 110.584 175.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.9 mt -132.15 114.47 24.01 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.098 -0.955 . . . . 73.019999999999996 109.931 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -104.15 119.67 39.46 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.265 -0.425 . . . . 63.409999999999997 110.301 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.545 ' HA ' HG12 ' A' ' 76' ' ' VAL . 8.1 m-20 -80.02 118.42 21.73 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.539 -0.755 . . . . 72.439999999999998 109.91 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.3 mt -111.24 -175.26 2.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.374 -0.375 . . . . 74.239999999999995 110.083 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -90.79 100.52 13.36 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.904 0.383 . . . . 73.439999999999998 110.496 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.66 -16.85 57.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.067 -0.587 . . . . 52.109999999999999 112.211 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -154.35 177.04 11.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.893 -0.41 . . . . 74.319999999999993 109.893 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' ' 71' ' ' ASP . 35.8 m -137.21 159.92 35.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 110.416 -0.216 . . . . 73.439999999999998 110.416 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -112.45 115.36 28.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.948 0.404 . . . . 74.340000000000003 110.503 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -93.41 115.94 28.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.237 -1.023 . . . . 65.049999999999997 108.237 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -116.23 117.75 30.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.01 -0.541 . . . . 72.230000000000004 110.412 -175.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.24 146.61 41.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.067 0.461 . . . . 65.099999999999994 111.551 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -142.6 106.28 4.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.647 -0.706 . . . . 73.129999999999995 109.827 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -109.58 112.31 24.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.419 -0.355 . . . . 75.040000000000006 110.741 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.844 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 19.3 m -94.4 108.71 20.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.236 -0.438 . . . . 72.420000000000002 110.364 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.59 ' HB3' ' HB3' ' A' ' 89' ' ' GLU . 97.4 m-85 -99.31 -13.52 19.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 72.219999999999999 110.611 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 m 74.98 -33.42 0.24 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.526 -1.215 . . . . 52.130000000000003 111.527 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 59.9 m -105.33 149.4 26.1 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.433 -0.581 . . . . 60.140000000000001 109.433 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.526 ' O ' HG12 ' A' ' 91' ' ' ILE . 17.0 tt0 -77.1 -31.75 56.13 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.193 -0.203 . . . . 74.129999999999995 111.259 -177.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.82 71.73 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.624 -0.51 . . . . 73.219999999999999 109.624 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.59 ' HB3' ' HB3' ' A' ' 84' ' ' PHE . 0.4 OUTLIER -54.55 -29.94 52.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.583 -0.735 . . . . 74.040000000000006 111.867 173.663 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.406 ' HE3' ' HB3' ' A' ' 90' ' ' MET . 15.7 tmm? -75.38 -49.92 17.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.545 -0.298 . . . . 73.319999999999993 110.735 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 87' ' ' GLN . 12.3 pt -70.39 -34.21 57.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 112.289 0.477 . . . . 60.049999999999997 112.289 -176.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.5 pt -65.92 -30.72 50.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.231 0.539 . . . . 73.230000000000004 110.073 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.641 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 34.4 t80 -69.2 -44.95 71.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.727 -0.67 . . . . 74.209999999999994 109.411 175.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 71.4 mm-40 -55.95 -52.73 63.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.622 -0.717 . . . . 74.409999999999997 111.28 176.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.624 ' HB2' HD12 ' A' ' 19' ' ' ILE . 98.0 mt -55.1 -42.15 72.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.325 -0.398 . . . . 72.549999999999997 111.08 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.8 m -63.53 -47.56 81.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 72.129999999999995 111.14 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 58.3 mt -62.03 -48.49 80.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.128 0.489 . . . . 73.430000000000007 111.239 -178.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 94' ' ' GLU . 87.9 mtt180 -67.53 -37.45 82.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.625 -0.716 . . . . 75.430000000000007 111.33 -171.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.6 m -75.22 -30.93 60.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.969 0.414 . . . . 60.119999999999997 111.075 -178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.9 tp -80.94 -30.57 35.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.083 0.468 . . . . 72.030000000000001 110.698 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.04 -1.48 54.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.011 -0.541 . . . . 74.310000000000002 111.491 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 98' ' ' ARG . 67.1 mt -58.98 -56.7 18.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.791 0.329 . . . . 72.25 110.969 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -90.08 -59.97 2.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.352 -0.385 . . . . 75.010000000000005 111.99 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -107.19 79.76 1.35 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.354 0.597 . . . . 65.150000000000006 112.468 -171.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -113.87 4.64 15.93 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.24 -1.022 . . . . 44.229999999999997 108.24 166.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -93.62 116.38 28.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.594 -1.184 . . . . 71.430000000000007 110.082 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -87.78 -89.64 0.13 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.399 -0.364 . . . . 73.450000000000003 110.202 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -117.48 -43.51 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.584 -0.525 . . . . 72.230000000000004 109.584 173.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 71.9 t60 . . . . . 0 C--O 1.245 0.858 0 CA-C-O 118.298 -0.858 . . . . 73.150000000000006 110.051 177.473 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.901 0.382 . . . . 75.519999999999996 110.614 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.43 132.51 44.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.292 -0.413 . . . . 44.520000000000003 110.822 -177.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.1 mtp 60.86 94.78 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.752 0.658 . . . . 73.219999999999999 111.223 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -105.32 -56.76 2.13 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.618 -0.719 . . . . 70.530000000000001 111.015 -176.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.01 128.06 20.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.036 0.446 . . . . 74.25 111.256 -174.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.2 m -131.04 151.57 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.704 -0.68 . . . . 72.239999999999995 110.087 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 p -126.72 104.16 12.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.577 0.703 . . . . 65.400000000000006 110.511 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -88.78 114.97 25.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.693 0.759 . . . . 71.129999999999995 110.643 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -91.65 107.4 19.18 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.868 -1.06 . . . . 63.210000000000001 110.111 -176.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.6 t -101.35 114.5 28.56 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.13 -0.486 . . . . 72.299999999999997 111.241 -177.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.0 p -84.99 93.27 8.54 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.387 -0.968 . . . . 72.450000000000003 108.387 169.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.9 m -68.99 89.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.822 -0.626 . . . . 75.120000000000005 111.77 -172.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 51.8 mtpt -114.49 -7.02 12.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.279 -0.873 . . . . 64.140000000000001 109.999 174.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -87.39 65.71 3.58 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.953 -0.642 . . . . 10.34 112.786 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 56.2 m -102.45 20.05 17.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.181 0.515 . . . . 73.540000000000006 110.14 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.92 -38.89 24.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.95 -0.568 . . . . 62.399999999999999 111.533 -177.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.433 ' O ' HD12 ' A' ' 17' ' ' ILE . 2.2 pp -128.34 150.99 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.907 0.384 . . . . 64.420000000000002 111.568 -177.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -105.88 89.23 3.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.018 -0.537 . . . . 60.43 109.92 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.593 HG21 ' HB3' ' A' ' 95' ' ' LEU . 35.2 mt -133.72 -59.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.919 -0.582 . . . . 74.450000000000003 110.313 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 142.9 -45.72 0.89 Allowed Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 111.162 -0.775 . . . . 35.539999999999999 111.162 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.9 m 69.79 112.18 0.05 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.5 0.667 . . . . 54.439999999999998 111.753 176.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 m -89.01 141.91 13.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.531 -0.759 . . . . 72.530000000000001 110.335 178.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 23' ' ' ILE . 3.3 mp -87.55 102.11 12.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.145 0.498 . . . . 72.140000000000001 109.739 178.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -140.95 136.67 32.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.472 -0.785 . . . . 63.450000000000003 110.15 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -117.45 129.09 55.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.079 -0.51 . . . . 74.400000000000006 110.106 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -148.64 -75.45 0.17 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.579 -0.526 . . . . 73.319999999999993 109.579 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -145.6 -177.97 5.85 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.78 -0.822 . . . . 74.219999999999999 108.78 176.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 66.4 m -100.43 9.8 42.1 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.199 0.523 . . . . 70.140000000000001 109.635 176.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 12.3 m -98.43 121.13 39.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.658 -0.701 . . . . 54.009999999999998 110.719 -178.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.471 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 16.5 m -98.13 113.72 25.71 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.785 -0.643 . . . . 73.120000000000005 110.053 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 14.8 mmmt -103.07 130.03 50.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.811 -0.631 . . . . 73.150000000000006 111.69 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.42 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 51.9 t80 -133.05 120.46 21.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.464 -0.569 . . . . 72.329999999999998 109.464 170.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -126.76 119.44 26.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.458 -0.337 . . . . 72.519999999999996 110.681 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -146.74 145.45 29.97 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.476 -0.194 . . . . 73.329999999999998 110.476 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -85.14 141.94 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.934 -0.395 . . . . 72.409999999999997 109.934 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.439 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 81.1 m-85 -128.44 159.75 34.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.261 -0.427 . . . . 61.219999999999999 110.526 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.28 96.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 51.549999999999997 111.511 -176.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.7 p -136.47 160.39 38.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.511 -0.313 . . . . 74.219999999999999 110.195 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.527 ' HG3' HG21 ' A' ' 69' ' ' ILE . 69.1 ttt180 -59.67 -31.78 69.87 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.942 0.401 . . . . 72.329999999999998 109.934 174.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -54.86 -47.11 74.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.74 -0.664 . . . . 64.540000000000006 110.715 175.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 21.8 mm-40 -57.72 -30.64 65.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.421 -0.809 . . . . 62.229999999999997 110.993 177.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.477 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -75.85 -44.63 39.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.917 -0.583 . . . . 75.549999999999997 110.375 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 69.9 mm-40 -59.96 -45.0 94.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.786 -0.643 . . . . 63.420000000000002 110.059 177.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.3 m -66.32 -28.22 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.573 -0.74 . . . . 62.140000000000001 111.698 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.567 ' O ' HD23 ' A' ' 49' ' ' LEU . 50.3 t80 -74.09 -35.38 64.19 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.145 0.497 . . . . 71.239999999999995 109.762 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 35.2 tpp -67.9 -24.34 65.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.554 -0.748 . . . . 63.020000000000003 111.268 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.708 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 3.0 m -56.41 -49.35 74.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.286 -0.415 . . . . 51.140000000000001 111.556 -177.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -71.68 -29.88 65.08 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.682 -0.407 . . . . 65.420000000000002 110.714 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.1 mm? -61.03 -40.3 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 71.230000000000004 110.539 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.708 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 22.9 mttm -54.01 -51.09 65.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.697 -0.683 . . . . 74.040000000000006 111.682 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -69.6 -42.22 74.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.028 0.442 . . . . 74.239999999999995 111.319 -178.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.73 -41.69 99.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.769 -0.65 . . . . 74.340000000000003 111.584 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.83 94.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 62.140000000000001 111.149 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.46 91.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.985 -0.552 . . . . 75.209999999999994 111.025 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.53 -39.02 77.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 74.510000000000005 111.504 -177.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.519 ' HB1' HD11 ' A' ' 92' ' ' ILE . . . -58.45 -46.27 86.88 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.261 -0.427 . . . . 54.409999999999997 111.416 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.676 ' HB3' ' HA2' ' A' ' 62' ' ' GLY . 34.3 t -86.86 -36.99 18.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.27 -0.423 . . . . 71.340000000000003 111.348 -177.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m 66.08 6.07 3.92 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.687 -0.688 . . . . 43.119999999999997 111.701 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.85 38.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.511 -0.313 . . . . 71.310000000000002 111.05 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 66.11 -74.29 0.06 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.365 0.666 . . . . 63.229999999999997 111.713 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.25 -38.55 90.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.098 0.475 . . . . 71.510000000000005 110.303 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.676 ' HA2' ' HB3' ' A' ' 57' ' ' SER . . . 87.23 -93.63 1.9 Allowed Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.846 -0.693 . . . . 53.299999999999997 112.174 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.33 146.16 30.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.489 0.185 . . . . 45.009999999999998 110.773 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.7 m -73.54 123.15 23.4 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.365 -0.605 . . . . 63.509999999999998 109.365 173.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.629 HG22 ' HD2' ' A' ' 67' ' ' TYR . 4.6 p -102.35 116.64 46.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.643 0.735 . . . . 73.299999999999997 111.379 -175.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.66 96.85 6.2 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.377 -0.829 . . . . 73.109999999999999 109.046 172.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.629 ' HD2' HG22 ' A' ' 65' ' ' VAL . 48.8 p90 -109.71 132.68 53.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.271 0.558 . . . . 72.239999999999995 111.203 -175.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -109.06 134.99 50.95 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.524 -0.762 . . . . 61.119999999999997 110.293 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.527 HG21 ' HG3' ' A' ' 39' ' ' ARG . 60.1 mt -131.58 104.31 8.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 CA-C-N 114.989 -1.005 . . . . 65.140000000000001 108.936 177.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -98.53 117.63 33.41 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.556 -0.458 . . . . 63.329999999999998 110.29 -176.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.72 ' HA ' HG12 ' A' ' 76' ' ' VAL . 15.9 m-20 -72.32 102.12 3.05 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.148 -0.933 . . . . 64.209999999999994 109.383 177.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 31.2 mt -95.51 -172.59 2.67 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.967 -0.561 . . . . 74.140000000000001 109.502 -178.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -93.87 98.67 11.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.085 0.469 . . . . 62.549999999999997 110.349 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.44 -4.11 61.84 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.801 -0.714 . . . . 42.240000000000002 112.82 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 10.7 pt20 -168.6 179.13 4.42 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.987 -0.375 . . . . 70.239999999999995 109.987 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.72 HG12 ' HA ' ' A' ' 71' ' ' ASP . 34.3 m -139.43 163.09 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.577 0.227 . . . . 72.010000000000005 110.413 176.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -114.53 122.81 47.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.489 -0.323 . . . . 71.430000000000007 110.169 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.515 HD23 HG12 ' A' ' 69' ' ' ILE . 3.4 tm? -100.55 116.67 33.04 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.857 -0.794 . . . . 72.040000000000006 108.857 176.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.42 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 25.2 t70 -128.97 110.07 11.76 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.885 -0.598 . . . . 64.109999999999999 110.257 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -110.52 124.52 51.97 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.052 -0.522 . . . . 64.530000000000001 111.118 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 30' ' ' SER . . . -117.97 108.51 15.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.529 . . . . 73.310000000000002 110.622 176.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.449 ' CE1' HD12 ' A' ' 49' ' ' LEU . 54.8 m-85 -99.37 131.15 45.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.231 -0.44 . . . . 62.409999999999997 110.667 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.9 m -96.15 104.97 16.95 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.108 -0.33 . . . . 62.109999999999999 110.108 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -92.1 -177.75 4.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 70.510000000000005 110.873 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 88.6 p -102.43 -31.9 10.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.208 0.528 . . . . 71.329999999999998 110.919 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.671 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 15.8 m -119.68 150.49 40.27 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.002 -0.544 . . . . 74.519999999999996 109.867 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.437 ' O ' HG12 ' A' ' 91' ' ' ILE . 53.0 tp60 -62.09 -40.89 97.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.091 0.472 . . . . 75.349999999999994 110.364 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.31 -37.03 66.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.515 -0.766 . . . . 64.049999999999997 111.139 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.671 ' HG3' ' HB2' ' A' ' 86' ' ' CYS . 47.2 mt-10 -65.52 -32.15 73.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 65.120000000000005 110.802 -177.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.2 ttt -68.74 -54.48 15.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.28 0.562 . . . . 62.140000000000001 110.76 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 87' ' ' GLN . 1.4 pt -67.74 -32.85 58.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.547 -0.751 . . . . 74.519999999999996 112.718 -174.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.519 HD11 ' HB1' ' A' ' 56' ' ' ALA . 2.6 pp -73.43 -30.74 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.305 -0.558 . . . . 70.310000000000002 110.708 175.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.677 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 39.9 t80 -70.16 -51.73 29.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.88 -0.6 . . . . 72.129999999999995 110.863 -176.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -59.98 -41.66 92.48 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.822 0.344 . . . . 53.340000000000003 111.11 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.593 ' HB3' HG21 ' A' ' 19' ' ' ILE . 90.4 mt -63.75 -48.04 78.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.218 -0.446 . . . . 71.340000000000003 110.584 178.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.4 t -59.3 -40.88 87.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 72.340000000000003 111.315 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.3 mt -57.3 -48.44 78.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.035 0.445 . . . . 55.109999999999999 111.139 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 98' ' ' ARG . 38.0 mtp180 -77.47 -36.8 52.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.631 -0.713 . . . . 73.319999999999993 111.115 -175.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 m -85.62 2.24 45.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 54.439999999999998 111.351 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.6 tp -73.01 -40.1 65.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.268 0.556 . . . . 70.340000000000003 109.717 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.86 -29.23 21.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.616 -0.72 . . . . 72.129999999999995 109.714 174.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 68.6 mt -103.84 72.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.451 -0.795 . . . . 61.340000000000003 109.642 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.26 -32.42 64.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.92 -0.582 . . . . 74.019999999999996 110.544 -174.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -74.98 105.72 6.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.131 -0.486 . . . . 62.350000000000001 110.383 175.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -125.1 26.65 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.313 0.577 . . . . 50.420000000000002 110.161 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -133.54 98.71 4.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.487 -0.779 . . . . 70.340000000000003 110.246 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -80.72 106.09 12.46 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.945 -0.571 . . . . 71.0 110.045 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -88.99 178.26 6.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.133 -0.485 . . . . 72.129999999999995 109.845 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.604 -0.712 . . . . 61.409999999999997 109.826 175.223 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.823 0.344 . . . . 72.209999999999994 110.484 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.75 13.56 17.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.118 -0.492 . . . . 45.130000000000003 111.942 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.7 tpt -81.99 75.93 8.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.168 0.508 . . . . 65.200000000000003 109.861 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -146.81 60.6 1.2 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.514 -0.766 . . . . 63.009999999999998 110.366 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -142.31 144.86 33.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.175 -0.466 . . . . 62.539999999999999 109.928 177.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.1 m -137.79 46.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.45 0.643 . . . . 73.099999999999994 110.379 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.2 p -88.54 102.25 12.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.619 -0.719 . . . . 61.32 111.764 -175.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -158.12 108.86 2.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.652 -0.704 . . . . 72.430000000000007 109.786 173.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -167.49 84.68 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.771 -0.65 . . . . 74.209999999999994 110.171 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 50.1 t -103.24 -44.1 5.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.837 -0.619 . . . . 50.149999999999999 109.876 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.1 m -85.17 101.14 12.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.723 -0.672 . . . . 60.119999999999997 109.712 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -120.69 6.7 10.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.95 -0.568 . . . . 72.319999999999993 110.76 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -139.85 126.96 21.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.134 -0.485 . . . . 63.420000000000002 110.822 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.74 -39.07 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.014 -0.612 . . . . 61.25 111.908 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -82.95 83.69 7.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.067 0.46 . . . . 64.340000000000003 110.265 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.38 -16.22 43.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.093 -0.503 . . . . 64.049999999999997 110.952 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.5 tt -78.45 126.87 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.984 -0.553 . . . . 52.329999999999998 110.956 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -146.77 126.11 13.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.831 -0.803 . . . . 72.340000000000003 108.831 176.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.9 mm -95.48 -42.17 12.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 O-C-N 123.302 0.376 . . . . 74.340000000000003 111.621 -171.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.68 91.7 0.56 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.519 -0.848 . . . . 73.129999999999995 111.762 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.0 m -153.77 131.47 11.52 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.074 -0.343 . . . . 62.020000000000003 110.074 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.1 t -84.14 115.21 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.048 0.451 . . . . 73.209999999999994 110.117 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.4 pt -77.78 156.79 5.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.944 -0.571 . . . . 73.420000000000002 111.463 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -81.53 -7.48 59.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.871 -0.604 . . . . 73.129999999999995 109.901 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.7 t30 68.87 85.63 0.14 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 114.952 -1.022 . . . . 63.340000000000003 110.15 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -97.64 -149.99 0.34 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.881 -1.054 . . . . 63.310000000000002 110.12 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -95.95 -165.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.293 -0.412 . . . . 72.439999999999998 110.172 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.1 p -100.01 -14.44 18.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.229 0.538 . . . . 72.129999999999995 110.022 175.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.8 m -99.12 125.8 44.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.718 -0.673 . . . . 41.100000000000001 109.367 172.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 t -127.08 122.0 33.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.723 0.297 . . . . 62.039999999999999 110.362 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HG3' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -99.77 152.35 20.21 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 121.029 0.442 . . . . 72.25 110.314 172.203 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.508 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 67.1 t80 -134.51 116.04 14.62 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.555 -0.748 . . . . 71.140000000000001 109.442 176.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.0 m -110.52 112.74 24.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.95 -0.568 . . . . 71.239999999999995 110.025 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -131.87 139.92 48.94 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.663 -0.495 . . . . 71.299999999999997 109.663 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -92.75 139.74 30.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.905 0.383 . . . . 65.319999999999993 110.768 -175.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -132.43 179.84 5.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.761 -0.654 . . . . 75.109999999999999 109.648 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.69 -58.65 3.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.784 0.326 . . . . 65.129999999999995 110.877 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.0 p -131.88 170.26 15.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.486 -0.325 . . . . 63.439999999999998 110.85 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.673 ' HB2' HG21 ' A' ' 69' ' ' ILE . 5.2 ptp180 -63.86 -24.18 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.0 0.428 . . . . 74.219999999999999 110.289 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.72 -46.72 84.13 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.518 0.675 . . . . 72.239999999999995 109.863 176.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.07 -28.12 68.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.815 -1.084 . . . . 54.109999999999999 110.315 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.523 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -74.98 -39.59 61.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.43 -0.804 . . . . 74.230000000000004 111.104 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 24.1 mm-40 -60.19 -42.29 94.72 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.229 -0.442 . . . . 73.219999999999999 110.345 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -61.36 -28.79 69.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 54.210000000000001 111.467 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.45 ' O ' HD23 ' A' ' 49' ' ' LEU . 51.8 t80 -73.5 -37.17 65.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.607 -0.516 . . . . 55.240000000000002 109.607 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.407 ' CE ' ' HA ' ' A' ' 46' ' ' MET . 0.9 OUTLIER -64.87 -30.52 71.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.754 -0.657 . . . . 60.350000000000001 111.046 179.241 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.9 m -57.64 -53.17 61.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.109999999999999 111.763 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -73.74 -28.27 61.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.912 0.386 . . . . 72.400000000000006 111.234 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.545 HD13 HD12 ' A' ' 52' ' ' LEU . 3.6 mm? -70.25 -27.36 64.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.147 -0.479 . . . . 72.219999999999999 111.073 178.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.42 -41.84 99.0 Favored 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 110.012 -0.366 . . . . 74.409999999999997 110.012 176.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -60.39 -41.12 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.809 -0.632 . . . . 74.5 110.662 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.56 HD21 HD22 ' A' ' 100' ' ' LEU . 77.4 mt -64.36 -51.17 64.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.811 -0.631 . . . . 61.409999999999997 110.998 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.39 -40.31 96.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.855 0.36 . . . . 75.540000000000006 111.285 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.65 90.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.062 -0.517 . . . . 62.210000000000001 111.33 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.96 -36.9 35.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.579 -0.282 . . . . 75.310000000000002 111.633 -176.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.38 -55.9 13.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 74.319999999999993 111.579 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.5 m -97.99 -55.2 2.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.35 -0.387 . . . . 44.530000000000001 111.714 -175.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.9 m 69.11 -63.85 0.35 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.122 -0.945 . . . . 60.130000000000003 110.647 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 58.34 -82.55 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.895 0.747 . . . . 64.439999999999998 111.128 -175.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -160.3 -58.24 0.06 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.461 -0.57 . . . . 65.239999999999995 109.461 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -114.32 14.28 17.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.384 -0.825 . . . . 75.140000000000001 111.084 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.12 173.83 21.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.86 -0.685 . . . . 54.240000000000002 113.005 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.65 163.85 13.2 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.473 0.309 . . . . 71.209999999999994 110.189 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.941 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 45.7 m -73.3 94.46 2.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.89 0.376 . . . . 74.430000000000007 110.381 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 p -111.27 121.16 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-O 121.389 0.614 . . . . 73.219999999999999 110.296 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.11 99.16 4.63 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.619 -0.719 . . . . 71.519999999999996 109.916 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.649 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 20.1 p90 -99.3 138.48 36.33 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.075 -0.343 . . . . 63.219999999999999 110.075 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -114.02 155.63 25.57 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.69 -0.485 . . . . 74.25 109.69 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.673 HG21 ' HB2' ' A' ' 39' ' ' ARG . 61.2 mt -125.0 115.55 44.53 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.54 -0.755 . . . . 75.409999999999997 109.338 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.862 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 38.9 ttmt -98.99 96.45 7.83 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.631 0.729 . . . . 70.319999999999993 109.73 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.79 ' HA ' HG12 ' A' ' 76' ' ' VAL . 4.6 m-20 -72.02 104.82 3.67 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.207 -1.361 . . . . 75.450000000000003 109.704 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.34 -172.67 2.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.313 0.578 . . . . 71.049999999999997 111.069 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -78.99 101.47 7.8 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.495 -0.775 . . . . 73.519999999999996 110.622 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.8 -6.07 79.56 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.877 -0.678 . . . . 44.340000000000003 113.203 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -164.97 177.12 8.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.731 0.265 . . . . 74.340000000000003 110.448 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' ' 71' ' ' ASP . 35.3 m -134.96 155.05 37.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.917 0.389 . . . . 62.539999999999999 111.055 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.862 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 27.7 tt0 -105.51 114.34 28.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.672 -0.695 . . . . 72.549999999999997 109.503 174.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.523 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.4 tm? -98.12 114.67 26.94 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.817 -0.808 . . . . 73.310000000000002 108.817 176.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.508 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 27.0 t70 -126.91 111.02 13.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.292 -0.413 . . . . 75.25 110.438 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.649 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -103.92 124.07 48.31 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.111 -0.495 . . . . 72.349999999999994 110.844 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.453 ' HA ' ' HG3' ' A' ' 31' ' ' LYS . . . -96.02 109.94 22.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.08 -0.509 . . . . 74.329999999999998 110.754 178.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -102.34 124.35 47.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.226 -0.443 . . . . 73.0 110.602 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.941 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 10.8 m -115.19 107.24 15.03 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.857 -0.423 . . . . 51.109999999999999 109.857 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.549 ' HB3' ' HB2' ' A' ' 89' ' ' GLU . 70.0 m-85 -99.67 146.54 26.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.736 -0.666 . . . . 75.409999999999997 110.405 -177.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.9 m -63.69 -36.26 83.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.112 -0.495 . . . . 63.43 110.786 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 43.1 m -130.65 162.51 29.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.04 -0.527 . . . . 73.109999999999999 110.328 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.413 ' O ' HG12 ' A' ' 91' ' ' ILE . 18.5 tt0 -70.31 -26.39 63.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.412 -0.358 . . . . 52.439999999999998 110.526 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.85 -43.97 77.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.556 . . . . 72.109999999999999 110.758 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.549 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 1.8 mm-40 -67.89 -28.8 67.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 64.099999999999994 110.268 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -75.21 -49.76 18.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.955 -0.566 . . . . 71.219999999999999 110.348 -175.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 87' ' ' GLN . 21.5 pt -66.63 -36.25 76.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.108 0.41 . . . . 65.109999999999999 112.108 -176.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 88' ' ' ALA . 39.9 pt -69.71 -30.67 45.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-O 121.225 0.536 . . . . 54.130000000000003 110.25 177.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.611 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 88.5 t80 -66.42 -47.82 72.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.511 -0.768 . . . . 72.439999999999998 110.183 177.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.428 ' HA ' HD12 ' A' ' 97' ' ' LEU . 22.3 mm-40 -55.71 -49.29 73.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.913 -0.585 . . . . 61.509999999999998 111.185 178.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.72 -44.78 93.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 75.129999999999995 110.933 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.7 t -71.88 -23.14 61.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.927 -0.579 . . . . 73.230000000000004 111.323 -176.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 67.5 mt -53.36 -56.97 12.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.891 0.377 . . . . 73.040000000000006 111.186 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.526 ' HD3' ' H ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -77.82 -29.51 50.66 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.502 -0.479 . . . . 75.400000000000006 111.157 -178.563 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 m -77.42 -8.08 57.16 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.97 0.359 . . . . 64.409999999999997 111.97 -175.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.56 HD22 HD21 ' A' ' 52' ' ' LEU . 24.6 tp -83.49 -29.75 27.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.231 0.539 . . . . 72.25 110.053 177.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.29 -24.4 20.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.71 -0.677 . . . . 73.420000000000002 109.708 175.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 96.0 mt -132.13 90.33 2.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.448 -0.796 . . . . 51.420000000000002 110.312 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -62.03 113.03 2.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.917 -0.583 . . . . 72.340000000000003 110.208 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -98.58 99.61 10.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.306 -0.407 . . . . 74.0 110.146 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -110.66 159.12 17.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.148 -0.478 . . . . 45.520000000000003 109.855 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -150.54 -169.95 3.52 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.525 -0.546 . . . . 62.329999999999998 109.525 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -49.8 107.8 0.17 Allowed 'General case' 0 C--N 1.332 -0.172 0 O-C-N 123.541 0.526 . . . . 74.109999999999999 110.101 174.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -121.76 -12.31 8.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.424 0.63 . . . . 64.310000000000002 109.335 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 32.6 t60 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.167 -0.92 . . . . 72.340000000000003 109.298 176.352 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.725 0.298 . . . . 73.030000000000001 110.277 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.82 108.01 14.83 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.251 -0.431 . . . . 71.409999999999997 110.847 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 89.4 mtp -118.58 78.57 1.28 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.495 -0.557 . . . . 74.340000000000003 109.495 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -122.42 100.1 6.76 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.729 -0.669 . . . . 63.200000000000003 110.819 -175.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -114.86 101.97 9.54 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.046 -0.525 . . . . 73.140000000000001 109.858 177.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.5 t -116.56 125.85 73.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.824 -0.626 . . . . 74.349999999999994 110.222 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -145.49 145.82 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.926 -0.398 . . . . 72.310000000000002 109.926 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -140.55 116.8 10.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.66 0.267 . . . . 72.239999999999995 110.733 -177.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -145.31 118.14 8.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.23 -0.441 . . . . 72.519999999999996 110.291 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.3 t -149.08 94.34 2.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.709 0.29 . . . . 61.149999999999999 110.514 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.3 p -171.94 100.94 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.549 . . . . 70.430000000000007 110.622 178.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.8 m -158.21 114.76 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.51 -0.314 . . . . 73.219999999999999 110.59 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -166.59 149.25 6.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 65.439999999999998 110.4 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.54 46.24 0.63 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.462 -0.875 . . . . 53.420000000000002 112.587 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.0 t -125.23 97.1 5.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.976 0.417 . . . . 73.239999999999995 110.124 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -143.39 25.66 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.802 -0.636 . . . . 75.420000000000002 110.793 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 pp -103.98 8.41 9.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.098 -0.501 . . . . 63.399999999999999 111.384 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -88.2 116.52 26.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.931 -0.577 . . . . 65.109999999999999 110.72 -177.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.531 ' HB ' HD22 ' A' ' 95' ' ' LEU . 46.0 mm -89.8 -25.82 5.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.667 -0.697 . . . . 74.430000000000007 109.544 176.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.95 45.16 6.8 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.591 -0.731 . . . . 50.350000000000001 111.525 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.3 m -139.11 121.59 16.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.631 0.253 . . . . 53.219999999999999 110.674 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.8 p -153.32 137.79 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.226 -0.443 . . . . 31.41 109.844 177.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 23' ' ' ILE . 3.5 mp -94.88 -98.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.955 -0.387 . . . . 44.030000000000001 109.955 -178.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -150.75 -96.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.531 -0.544 . . . . 53.409999999999997 109.531 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -141.01 129.44 22.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.138 -0.483 . . . . 62.32 110.691 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.412 ' CG ' ' H ' ' A' ' 27' ' ' ASN . 16.1 t70 -116.17 -163.47 0.9 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.304 -1.369 . . . . 73.409999999999997 107.304 173.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.412 ' H ' ' CG ' ' A' ' 26' ' ' ASP . 6.8 p30 -96.5 -48.93 5.35 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.066 -0.716 . . . . 73.319999999999993 109.066 174.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.6 p 163.22 15.94 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 O-C-N 124.37 1.044 . . . . 63.329999999999998 109.952 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 31.1 m -115.96 123.16 47.34 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 120.94 0.4 . . . . 64.030000000000001 111.116 -173.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.751 ' HB2' ' HG3' ' A' ' 90' ' ' MET . 28.3 t -97.22 121.79 39.51 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.307 -0.627 . . . . 75.319999999999993 109.307 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -109.2 151.71 26.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.954 0.407 . . . . 74.230000000000004 110.028 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -161.75 123.45 2.83 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.413 -0.812 . . . . 74.230000000000004 110.108 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.636 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 4.4 m -133.41 107.09 7.86 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.708 -0.478 . . . . 74.510000000000005 109.708 175.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -113.98 142.55 46.02 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.051 -0.351 . . . . 64.530000000000001 110.051 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.462 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 81.3 m-85 -90.18 132.87 35.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.282 -0.417 . . . . 73.430000000000007 110.048 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.487 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 97.4 m-85 -119.39 158.02 27.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.217 -0.447 . . . . 53.43 110.633 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.12 99.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 74.420000000000002 111.041 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.414 ' OG1' ' HG2' ' A' ' 41' ' ' GLU . 39.2 p -133.69 160.65 36.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.623 -0.262 . . . . 74.019999999999996 110.44 178.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.772 ' HA ' HG21 ' A' ' 76' ' ' VAL . 21.0 ttt180 -61.95 -30.13 70.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.889 0.376 . . . . 75.239999999999995 110.237 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -55.55 -49.84 71.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.775 -0.648 . . . . 54.100000000000001 110.354 175.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 12.2 mm-40 -56.55 -32.56 65.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.996 -1.002 . . . . 61.329999999999998 110.976 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.15 -52.15 10.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.559 -0.746 . . . . 71.010000000000005 110.957 -178.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 1.033 ' HG2' HD13 ' A' ' 69' ' ' ILE . 51.4 mt-10 -64.01 -34.16 77.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 74.439999999999998 110.769 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.0 t -65.47 -29.27 69.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.938 -0.574 . . . . 73.010000000000005 110.953 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.51 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 56.2 t80 -76.1 -42.88 45.8 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.43 -0.35 . . . . 73.0 110.226 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.3 tpp -63.11 -24.26 67.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 72.209999999999994 111.292 -178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.505 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 31.3 m -53.96 -50.33 66.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.339 -0.392 . . . . 62.549999999999997 111.463 178.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 17.0 ptmt -74.07 -27.79 61.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.351 -0.386 . . . . 75.010000000000005 111.353 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.439 HD12 ' HZ ' ' A' ' 93' ' ' PHE . 4.4 mm? -63.61 -30.25 71.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.732 0.301 . . . . 70.099999999999994 110.453 176.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 47' ' ' THR . 5.2 mptp? -56.39 -40.54 74.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 71.340000000000003 110.719 174.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -75.25 -51.13 14.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.968 -0.56 . . . . 74.400000000000006 110.783 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.0 mt -57.87 -42.72 85.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.349 -0.841 . . . . 73.019999999999996 112.161 -174.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.19 85.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.747 0.308 . . . . 54.450000000000003 111.64 -178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.573 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . . . -76.08 -30.25 58.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.312 -0.403 . . . . 72.310000000000002 111.452 -177.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.02 -33.91 38.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.876 0.37 . . . . 43.219999999999999 111.357 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.7 -42.31 22.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.05 -0.523 . . . . 63.109999999999999 111.437 -178.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -86.3 127.76 34.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.052 0.453 . . . . 51.530000000000001 111.064 -175.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m -77.96 12.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.681 -0.691 . . . . 65.129999999999995 111.826 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 60' ' ' ASP . . . -89.4 19.31 4.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.52 -0.309 . . . . 64.099999999999994 111.464 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 59' ' ' ALA . 4.7 m-20 71.17 -69.66 0.18 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.745 -0.661 . . . . 53.039999999999999 112.258 177.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -92.99 31.76 1.37 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.871 -0.604 . . . . 74.450000000000003 111.09 -171.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.573 ' HA2' ' HA ' ' A' ' 54' ' ' ALA . . . 85.61 -133.35 11.73 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.744 -0.741 . . . . 43.420000000000002 111.856 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.62 171.3 14.57 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.151 -0.314 . . . . 72.129999999999995 110.151 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.542 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 73.8 m -75.31 99.18 4.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.575 -0.284 . . . . 54.100000000000001 110.494 178.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 6.0 p -111.11 116.15 51.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.602 0.715 . . . . 55.530000000000001 111.411 -178.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.57 97.27 9.26 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.238 -1.023 . . . . 73.549999999999997 108.238 171.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -121.17 155.34 34.74 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.015 0.436 . . . . 73.239999999999995 110.93 -173.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.609 ' HG2' ' HB3' ' A' ' 79' ' ' ASP . 10.2 ptpp? -147.77 156.98 43.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.95 -0.568 . . . . 73.340000000000003 110.205 178.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 1.033 HD13 ' HG2' ' A' ' 43' ' ' GLU . 23.2 mt -121.68 104.92 15.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 N-CA-C 108.231 -1.025 . . . . 70.239999999999995 108.231 177.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.717 ' HB3' ' HG2' ' A' ' 77' ' ' GLU . 83.8 tttt -107.71 121.93 45.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.253 0.549 . . . . 72.239999999999995 111.23 -168.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.77 ' HA ' HG12 ' A' ' 76' ' ' VAL . 5.5 m-20 -77.83 127.35 32.26 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.994 -1.003 . . . . 63.200000000000003 110.423 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.5 mt -122.09 -177.88 3.71 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.02 -0.363 . . . . 73.030000000000001 110.02 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -86.86 102.7 14.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.87 0.367 . . . . 73.540000000000006 110.571 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.09 -3.95 73.87 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.941 -0.647 . . . . 63.009999999999998 112.219 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -164.5 177.91 7.79 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.937 -0.394 . . . . 74.409999999999997 109.937 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.772 HG21 ' HA ' ' A' ' 39' ' ' ARG . 27.4 m -140.58 153.78 21.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.302 -0.629 . . . . 71.049999999999997 109.302 174.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.717 ' HG2' ' HB3' ' A' ' 70' ' ' LYS . 13.0 pt-20 -109.12 126.7 53.48 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.609 0.719 . . . . 74.019999999999996 110.011 176.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.636 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -97.65 110.56 23.1 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.383 -0.969 . . . . 75.239999999999995 108.383 174.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.609 ' HB3' ' HG2' ' A' ' 68' ' ' LYS . 9.6 t70 -107.56 126.58 52.72 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.474 -0.785 . . . . 72.209999999999994 110.247 -175.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -139.12 135.71 34.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.385 -0.37 . . . . 65.219999999999999 110.751 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.583 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -134.11 100.64 4.77 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.237 -0.438 . . . . 73.329999999999998 109.902 175.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 29' ' ' THR . 82.0 m-85 -93.47 112.65 24.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.118 -0.492 . . . . 71.010000000000005 110.345 -177.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.542 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 63.9 m -94.76 108.91 20.92 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.637 -0.505 . . . . 74.319999999999993 109.637 175.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -89.86 168.52 11.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.842 -0.617 . . . . 71.540000000000006 110.52 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.3 p -76.56 -23.23 53.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.182 0.515 . . . . 74.409999999999997 110.711 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.512 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 63.9 m -140.51 154.2 46.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.848 -0.614 . . . . 65.209999999999994 110.088 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.401 ' O ' HG12 ' A' ' 91' ' ' ILE . 31.8 tt0 -69.01 -33.09 73.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.561 -0.291 . . . . 71.030000000000001 110.75 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.5 -40.08 74.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.284 -0.416 . . . . 64.109999999999999 110.808 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 6.0 mm-40 -62.71 -32.77 73.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.09 -0.505 . . . . 61.229999999999997 110.318 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.751 ' HG3' ' HB2' ' A' ' 30' ' ' SER . 59.1 ttp -69.28 -51.95 32.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.879 -0.6 . . . . 72.219999999999999 110.915 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.602 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.8 pt -68.21 -39.81 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 116.197 -0.456 . . . . 65.329999999999998 112.201 -176.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 pp -64.53 -30.59 50.64 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 C-N-CA 120.326 -0.55 . . . . 73.230000000000004 110.456 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.657 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 74.8 t80 -65.56 -51.49 59.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.65 -0.705 . . . . 71.439999999999998 110.573 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.22 -28.36 63.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 70.5 111.731 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 72.4 mt -63.24 -51.23 67.07 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.152 -0.314 . . . . 51.530000000000001 110.152 175.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.6 m -58.42 -40.99 84.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 65.049999999999997 111.404 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.9 mt -56.97 -49.51 75.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.935 0.398 . . . . 62.530000000000001 110.554 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -70.68 -31.25 68.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.009 -0.541 . . . . 74.340000000000003 111.048 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -66.38 -30.34 70.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 73.239999999999995 110.502 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.0 tt -86.29 -49.57 7.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.105 -0.498 . . . . 61.119999999999997 110.481 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.27 28.51 0.62 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.679 -0.691 . . . . 53.130000000000003 111.548 -176.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 37.6 mt -56.49 -70.98 0.1 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.585 -0.28 . . . . 55.329999999999998 111.324 177.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.6 -64.59 0.12 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.501 -0.772 . . . . 71.540000000000006 111.334 -174.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -110.6 98.82 7.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.306 0.574 . . . . 73.510000000000005 110.069 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -74.09 86.98 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.636 0.732 . . . . 75.349999999999994 110.131 178.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -133.51 104.77 6.55 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.605 -0.725 . . . . 73.209999999999994 110.703 -172.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.6 m170 -108.43 67.7 0.67 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.234 -0.654 . . . . 62.43 109.234 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 30.1 m80 66.61 170.0 0.24 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.262 -0.881 . . . . 62.409999999999997 111.058 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 18.5 t60 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.505 -0.76 . . . . 71.239999999999995 110.157 -177.144 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.832 0.349 . . . . 72.219999999999999 110.124 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.91 163.71 12.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.249 0.547 . . . . 71.420000000000002 111.504 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -146.99 139.77 25.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.225 -0.898 . . . . 75.430000000000007 108.893 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -129.09 111.69 13.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.953 0.406 . . . . 65.209999999999994 111.223 -175.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -106.22 70.38 0.84 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.627 0.727 . . . . 71.409999999999997 109.775 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.2 t -126.22 96.64 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.202 -0.908 . . . . 71.430000000000007 109.857 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.8 t -143.6 105.3 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.038 -0.528 . . . . 43.200000000000003 111.532 -176.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -137.53 137.34 38.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.04 0.447 . . . . 73.409999999999997 110.013 169.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -142.54 111.71 6.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.922 -0.581 . . . . 71.329999999999998 110.081 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.8 p -119.4 43.44 2.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.959 -0.564 . . . . 64.129999999999995 110.584 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 12' ' ' THR . 37.1 m -65.2 87.78 0.07 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.993 -0.549 . . . . 74.319999999999993 111.305 -177.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -168.51 109.94 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.181 -0.918 . . . . 75.239999999999995 109.952 -178.061 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -124.64 177.59 5.88 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.286 -0.264 . . . . 74.219999999999999 110.286 176.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.07 112.59 3.83 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.778 -0.725 . . . . 71.340000000000003 113.176 -173.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 t -89.82 162.4 15.52 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.649 -0.871 . . . . 75.319999999999993 108.649 174.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.639 ' O ' HG12 ' A' ' 17' ' ' ILE . . . -140.12 -163.98 1.62 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.702 0.26 . . . . 64.340000000000003 111.702 -173.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.639 HG12 ' O ' ' A' ' 16' ' ' ALA . 4.0 pt 65.21 140.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.482 1.513 . . . . 62.520000000000003 113.175 177.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -97.95 -55.5 2.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.82 -1.082 . . . . 64.030000000000001 108.704 173.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.5 mm -104.48 -49.16 9.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.596 -0.89 . . . . 63.43 108.596 168.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.636 ' HA3' HD12 ' A' ' 17' ' ' ILE . . . 79.53 -75.09 2.15 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.163 -0.926 . . . . 73.030000000000001 113.911 173.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 t -78.47 128.69 33.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.251 0.548 . . . . 73.450000000000003 111.612 -172.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -173.95 136.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.297 -0.865 . . . . 61.119999999999997 109.589 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.9 mt -128.66 93.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.204 0.526 . . . . 65.109999999999999 110.104 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -144.27 124.9 14.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.938 -0.574 . . . . 73.109999999999999 109.533 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -165.8 126.61 1.83 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.225 0.536 . . . . 42.009999999999998 110.685 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -155.51 -57.45 0.1 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.372 -0.831 . . . . 70.450000000000003 109.145 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -150.54 175.2 12.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.259 -0.882 . . . . 72.439999999999998 109.295 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.3 m -104.4 24.15 12.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.877 0.37 . . . . 72.010000000000005 111.424 -174.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.1 m -116.44 110.45 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.349 -0.387 . . . . 72.349999999999994 110.362 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.522 ' HB2' ' SD ' ' A' ' 90' ' ' MET . 32.2 t -98.41 116.96 31.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.947 0.404 . . . . 65.140000000000001 110.552 -178.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -103.61 112.84 25.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.96 -0.564 . . . . 61.009999999999998 109.695 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -124.65 119.13 28.13 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.964 -0.562 . . . . 73.230000000000004 110.407 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.678 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 3.8 p -128.64 111.0 12.72 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.045 0.45 . . . . 74.040000000000006 110.979 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -119.38 151.32 38.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 73.409999999999997 110.373 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.495 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 81.6 m-85 -84.44 137.09 33.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.145 -0.479 . . . . 65.439999999999998 110.597 176.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -127.73 163.28 24.67 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.656 -0.702 . . . . 75.510000000000005 109.58 176.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.75 -56.97 14.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.4 0.437 . . . . 61.310000000000002 110.877 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.9 p -123.67 160.37 27.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.468 -0.333 . . . . 73.519999999999996 110.985 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.606 ' HG3' HG21 ' A' ' 69' ' ' ILE . 41.4 ttt180 -59.91 -31.7 70.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.205 0.526 . . . . 74.230000000000004 110.106 175.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.08 -50.62 73.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.545 -0.752 . . . . 72.129999999999995 110.605 176.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -54.28 -34.76 61.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.734 -0.666 . . . . 72.319999999999993 110.896 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.491 ' HB1' ' HB2' ' A' ' 78' ' ' LEU . . . -69.42 -52.89 22.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.707 -0.678 . . . . 74.109999999999999 110.985 -177.216 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.95 -31.82 72.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.372 -0.377 . . . . 62.399999999999999 111.198 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.7 m -67.87 -28.76 67.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 72.209999999999994 110.985 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.471 ' O ' HD23 ' A' ' 49' ' ' LEU . 86.1 t80 -72.6 -35.05 67.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.073 0.463 . . . . 65.140000000000001 109.789 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.591 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 35.9 tpp -63.43 -40.13 96.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.688 -0.687 . . . . 75.129999999999995 111.472 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.2 m -52.53 -50.79 62.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.446 0.536 . . . . 44.200000000000003 112.446 -173.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -71.48 -28.53 63.99 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.061 -0.256 . . . . 71.129999999999995 111.183 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.1 mm? -70.93 -36.16 72.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.587 -0.279 . . . . 71.299999999999997 111.03 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 46' ' ' MET . 41.1 mtpt -55.87 -48.74 75.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.926 0.393 . . . . 75.329999999999998 110.554 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.85 -41.52 82.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.553 -0.749 . . . . 72.129999999999995 110.722 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.5 mt -68.67 -43.17 76.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.693 -0.685 . . . . 74.040000000000006 110.751 -178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.22 97.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.42 -0.355 . . . . 62.310000000000002 111.18 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.423 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . . . -62.06 -35.54 78.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 74.439999999999998 111.427 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.41 -29.75 24.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.441 -0.345 . . . . 72.319999999999993 111.332 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.43 -37.23 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.398 -0.365 . . . . 74.030000000000001 110.829 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.429 ' HB2' ' CD2' ' A' ' 84' ' ' PHE . 34.4 t -86.02 115.34 23.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.234 -0.439 . . . . 73.299999999999997 110.433 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.5 m -79.76 19.97 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.087 0.47 . . . . 71.299999999999997 111.395 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.24 11.68 9.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.026 -0.534 . . . . 42.420000000000002 111.643 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 73.38 -54.73 0.69 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.554 0.742 . . . . 73.230000000000004 111.461 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -90.41 29.12 1.32 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.019 -0.537 . . . . 73.010000000000005 110.698 -175.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 54' ' ' ALA . . . 66.02 -133.06 34.04 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.991 -0.624 . . . . 53.439999999999998 112.067 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.52 178.24 7.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.852 0.358 . . . . 62.450000000000003 110.869 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.871 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 14.6 m -88.94 122.31 32.18 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.322 -0.622 . . . . 51.020000000000003 109.322 176.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.4 p -133.22 116.42 25.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.453 0.644 . . . . 74.219999999999999 111.214 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.34 122.71 38.45 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.578 -0.737 . . . . 63.439999999999998 109.517 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.51 ' HE2' HD11 ' A' ' 69' ' ' ILE . 18.0 p90 -120.59 135.98 54.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.256 0.551 . . . . 74.349999999999994 111.056 -177.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.47 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 36.2 mtmt -113.86 165.51 12.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.501 -0.772 . . . . 72.120000000000005 109.764 174.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.606 HG21 ' HG3' ' A' ' 39' ' ' ARG . 45.4 mt -137.21 111.44 9.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 115.518 -0.764 . . . . 35.130000000000003 110.427 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -105.94 99.31 8.91 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.891 0.853 . . . . 73.439999999999998 109.488 175.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.786 ' HA ' HG12 ' A' ' 76' ' ' VAL . 5.7 p-10 -75.5 107.88 7.93 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.939 -1.482 . . . . 64.319999999999993 109.434 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.0 mt -97.88 -169.99 1.91 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.271 -0.422 . . . . 73.150000000000006 110.398 -174.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -75.96 102.4 5.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.841 -0.618 . . . . 72.010000000000005 109.375 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.9 -62.11 1.92 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.971 -0.633 . . . . 63.149999999999999 112.312 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -105.71 171.52 7.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.581 0.229 . . . . 71.219999999999999 110.695 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.786 HG12 ' HA ' ' A' ' 71' ' ' ASP . 32.9 m -130.87 154.5 40.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.626 -0.261 . . . . 71.400000000000006 110.534 177.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -109.8 115.7 30.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.776 0.322 . . . . 44.219999999999999 110.368 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.678 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.4 tm? -91.44 114.18 26.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.706 -0.85 . . . . 53.140000000000001 108.706 176.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.475 ' O ' ' HA ' ' A' ' 67' ' ' TYR . 21.4 t70 -109.33 114.6 28.42 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.078 -0.51 . . . . 75.219999999999999 110.564 -176.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.52 133.11 56.4 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.322 -0.399 . . . . 53.32 111.542 -176.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.65 107.56 15.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.781 -0.645 . . . . 70.239999999999995 110.23 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -102.34 113.29 26.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.895 -0.593 . . . . 72.150000000000006 110.577 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.871 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 28.5 m -108.19 106.2 16.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.999 0.428 . . . . 73.310000000000002 110.308 177.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.429 ' CD2' ' HB2' ' A' ' 57' ' ' SER . 45.5 m-85 -91.84 154.12 19.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.818 -0.628 . . . . 74.430000000000007 110.122 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 m -75.49 -31.97 60.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.959 0.409 . . . . 52.140000000000001 111.087 -177.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.85 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 33.3 m -124.29 144.76 49.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.041 -0.527 . . . . 73.409999999999997 109.963 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -66.66 -32.43 73.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.359 . . . . 74.200000000000003 111.218 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.32 -37.77 75.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.29 -0.414 . . . . 74.140000000000001 110.484 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.85 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 4.2 mm-40 -67.37 -31.02 70.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.672 -0.694 . . . . 72.230000000000004 110.447 -178.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.522 ' SD ' ' HB2' ' A' ' 30' ' ' SER . 49.2 tpp -65.35 -54.16 33.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.025 0.441 . . . . 70.239999999999995 110.96 -179.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.595 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.3 pt -67.08 -39.14 82.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.164 -0.471 . . . . 45.409999999999997 112.078 -176.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 pp -69.18 -29.76 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.468 -0.493 . . . . 71.129999999999995 110.551 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.586 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 50.2 t80 -62.94 -52.23 63.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.957 -0.565 . . . . 74.409999999999997 110.554 176.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.55 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 3.5 pt-20 -69.55 -31.27 69.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.601 -0.272 . . . . 75.140000000000001 111.317 -177.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 73.2 mt -61.34 -44.83 96.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.919 0.39 . . . . 71.420000000000002 110.32 176.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.0 m -66.22 -22.99 66.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.043 -0.526 . . . . 64.409999999999997 110.691 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 79.6 mt -77.83 -30.65 51.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 110.781 177.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.573 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 54.7 mtt180 -62.54 -50.94 69.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.187 -0.461 . . . . 74.019999999999996 111.436 -174.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.2 p -69.54 -28.27 65.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.112 0.482 . . . . 75.409999999999997 110.894 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.7 tt -68.39 -45.43 72.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.71 -0.677 . . . . 74.120000000000005 110.066 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.32 13.51 2.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.682 -0.69 . . . . 53.530000000000001 111.863 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 98' ' ' ARG . 57.6 mt -83.97 -17.18 41.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.902 0.382 . . . . 72.219999999999999 110.928 176.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 104' ' ' HIS . 37.7 mt-10 -84.81 66.2 9.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 72.310000000000002 112.065 -174.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 103' ' ' GLU . 7.0 p80 175.77 134.07 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.983 -0.553 . . . . 72.040000000000006 109.667 173.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -67.86 145.65 54.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.728 0.299 . . . . 71.230000000000004 110.532 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -145.3 139.95 27.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.492 -0.322 . . . . 71.120000000000005 110.876 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -177.09 118.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.821 -0.627 . . . . 75.129999999999995 109.513 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -161.79 114.51 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.738 -0.467 . . . . 75.319999999999993 109.738 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.332 -0.842 . . . . 62.149999999999999 110.024 -176.426 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.8 tpp . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.953 0.406 . . . . 73.450000000000003 110.092 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.4 103.94 7.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.982 -0.553 . . . . 62.340000000000003 110.26 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.96 -14.21 6.15 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.004 -0.543 . . . . 73.510000000000005 110.805 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -119.65 95.28 4.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.327 0.584 . . . . 74.319999999999993 112.006 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -130.43 91.82 3.16 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.856 -0.794 . . . . 54.329999999999998 108.856 168.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.2 p -115.66 130.12 70.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.247 0.546 . . . . 65.340000000000003 110.897 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.2 p -145.08 126.95 9.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.836 -0.62 . . . . 60.140000000000001 110.236 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -136.2 136.89 40.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.837 -0.619 . . . . 54.340000000000003 109.589 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -97.0 90.4 5.17 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.392 0.615 . . . . 63.030000000000001 110.607 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.5 t -125.81 80.15 1.88 Allowed 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.375 -0.972 . . . . 74.530000000000001 108.375 173.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.0 m -127.92 161.29 29.44 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.709 -0.678 . . . . 71.519999999999996 111.238 -173.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.7 m 61.61 79.12 0.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.333 -0.848 . . . . 75.109999999999999 111.967 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -105.51 89.82 3.22 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.447 -0.945 . . . . 60.5 108.447 171.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.36 -113.9 6.31 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 111.06 -0.816 . . . . 73.25 111.06 -171.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.5 m -145.29 -35.08 0.32 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.997 0.427 . . . . 63.420000000000002 110.079 174.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.98 86.85 6.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.152 0.501 . . . . 64.299999999999997 110.926 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.7 tt -129.28 125.44 62.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.836 -0.62 . . . . 73.209999999999994 109.792 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.9 t70 70.21 134.14 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.415 -0.811 . . . . 74.439999999999998 111.622 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.469 HG21 ' HD3' ' A' ' 98' ' ' ARG . 50.8 mm -94.48 -24.37 4.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.824 -0.626 . . . . 73.299999999999997 110.439 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.47 15.51 56.86 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.508 -0.853 . . . . 73.439999999999998 111.822 -175.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.419 HG22 HG13 ' A' ' 23' ' ' ILE . 23.5 m -94.81 116.86 29.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.9 -0.407 . . . . 61.329999999999998 109.9 178.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 m -82.41 88.16 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.72 0.772 . . . . 74.200000000000003 111.751 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.419 HG13 HG22 ' A' ' 21' ' ' THR . 65.4 mt -114.04 125.61 71.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.295 -0.866 . . . . 72.430000000000007 109.154 172.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -104.87 -159.76 0.73 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.956 -0.387 . . . . 71.310000000000002 109.956 -174.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -78.27 106.59 10.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.386 0.612 . . . . 71.129999999999995 111.33 -177.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -114.48 -71.22 0.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.253 -0.885 . . . . 74.530000000000001 108.71 174.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -162.84 165.92 24.72 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.717 -1.216 . . . . 63.049999999999997 107.717 172.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.4 p -78.21 45.34 0.54 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.414 0.524 . . . . 70.219999999999999 112.414 -173.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 89.9 m -132.86 123.89 26.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.349 -0.387 . . . . 61.530000000000001 110.011 177.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.417 ' HB2' ' HG3' ' A' ' 90' ' ' MET . 11.6 t -97.31 135.54 39.08 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.429 -0.582 . . . . 73.299999999999997 109.429 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.447 ' NZ ' ' HB2' ' A' ' 81' ' ' ALA . 29.9 mmmt -112.51 143.61 43.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.108 -0.496 . . . . 63.420000000000002 111.352 -173.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -136.2 118.81 15.97 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.936 -0.764 . . . . 73.450000000000003 108.936 169.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 9.9 m -133.47 118.19 18.06 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.852 -0.425 . . . . 64.219999999999999 109.852 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -148.94 149.9 31.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.985 0.421 . . . . 71.099999999999994 111.275 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 4.6 m-85 -85.99 118.69 25.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.738 -0.665 . . . . 71.120000000000005 109.213 175.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 66.7 m-85 -104.72 155.88 18.49 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.203 -0.295 . . . . 73.120000000000005 110.203 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.99 -47.02 86.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.982 0.42 . . . . 74.129999999999995 111.515 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.83 161.61 34.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.226 -0.443 . . . . 44.109999999999999 110.251 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HA ' HG21 ' A' ' 76' ' ' VAL . 22.0 ttt180 -58.28 -33.06 69.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 65.5 110.918 177.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.27 -48.74 80.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.008 -0.542 . . . . 75.150000000000006 110.789 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 38.2 mm-40 -52.85 -34.07 52.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.566 -0.743 . . . . 72.230000000000004 110.49 176.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.611 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -76.11 -52.92 9.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.198 -0.91 . . . . 65.340000000000003 111.264 -178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.724 ' HG2' HD13 ' A' ' 69' ' ' ILE . 27.4 mt-10 -66.49 -31.94 72.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.376 -0.375 . . . . 64.329999999999998 111.646 -176.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.2 m -63.84 -35.2 79.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.728 0.299 . . . . 73.530000000000001 110.347 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.493 ' O ' HD23 ' A' ' 49' ' ' LEU . 32.2 t80 -76.51 -37.07 57.31 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.451 -0.574 . . . . 74.129999999999995 109.451 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.423 ' CE ' ' HA ' ' A' ' 46' ' ' MET . 1.7 tpt -61.81 -37.46 84.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.719 -0.673 . . . . 51.399999999999999 110.859 177.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.714 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 41.1 m -63.16 -51.39 66.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 74.040000000000006 111.579 -177.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -67.14 -28.86 68.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 73.409999999999997 111.021 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 45' ' ' PHE . 2.0 mm? -63.89 -34.62 78.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.412 -0.358 . . . . 74.200000000000003 110.873 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.714 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 32.0 mttt -60.96 -44.65 97.0 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.057 0.456 . . . . 71.219999999999999 110.47 176.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -65.92 -42.81 89.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.584 -0.734 . . . . 71.340000000000003 110.603 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.404 HD13 HD23 ' A' ' 97' ' ' LEU . 96.0 mt -65.74 -31.72 72.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.823 -0.626 . . . . 75.340000000000003 111.35 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.98 -34.69 78.56 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.262 0.553 . . . . 75.239999999999995 110.542 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.84 -30.52 66.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.768 -0.651 . . . . 32.520000000000003 110.646 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.93 -31.28 50.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.468 -0.333 . . . . 43.109999999999999 110.972 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.63 -53.33 6.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.386 -0.37 . . . . 63.030000000000001 111.86 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.9 m -114.82 -31.11 6.23 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.976 0.361 . . . . 54.549999999999997 111.976 -175.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.1 m 70.16 -71.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.541 -0.754 . . . . 64.329999999999998 109.794 -175.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 50.16 17.3 0.31 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.471 0.915 . . . . 63.240000000000002 113.471 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 66.86 -62.32 0.3 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.416 0.687 . . . . 70.299999999999997 111.816 -176.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -85.76 -24.69 26.77 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.056 0.455 . . . . 64.450000000000003 110.494 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.03 172.95 16.99 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.884 -0.674 . . . . 60.140000000000001 111.868 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.96 152.76 36.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.597 0.237 . . . . 65.340000000000003 110.421 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.623 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 69.5 m -70.27 103.22 2.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.24 -0.436 . . . . 64.239999999999995 110.789 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.1 p -100.43 120.33 49.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.494 0.664 . . . . 74.019999999999996 111.251 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . . . -105.28 99.76 9.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.179 -0.919 . . . . 72.010000000000005 108.714 172.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -111.23 150.62 29.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.043 0.449 . . . . 64.450000000000003 111.77 -172.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.477 ' HB2' ' HB3' ' A' ' 79' ' ' ASP . 91.2 mttt -134.4 138.37 44.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.423 -0.808 . . . . 65.319999999999993 110.233 169.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.724 HD13 ' HG2' ' A' ' 43' ' ' GLU . 59.1 mt -128.7 103.42 9.59 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 114.417 -1.265 . . . . 75.349999999999994 108.34 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.564 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 81.4 tttt -111.08 119.06 37.75 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.038 -0.528 . . . . 74.150000000000006 111.25 -171.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.644 ' HA ' HG12 ' A' ' 76' ' ' VAL . 7.5 m-20 -82.12 108.44 15.6 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.003 -0.999 . . . . 72.430000000000007 110.229 -178.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.0 mt -104.63 -179.85 4.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.937 0.399 . . . . 61.240000000000002 109.967 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -88.67 103.84 16.31 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.065 0.459 . . . . 73.319999999999993 110.32 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.25 -5.93 65.77 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 115.728 -0.669 . . . . 72.129999999999995 112.632 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -167.05 178.72 5.56 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.756 -0.461 . . . . 65.439999999999998 109.756 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 71' ' ' ASP . 27.1 m -138.74 157.25 29.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.814 0.34 . . . . 54.210000000000001 110.661 176.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.564 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 6.0 tp10 -102.6 114.53 28.83 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.809 -0.632 . . . . 71.329999999999998 109.379 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.611 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.2 tm? -102.11 114.48 28.64 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.691 -0.855 . . . . 71.310000000000002 108.691 176.371 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.477 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 26.9 t70 -122.43 111.52 16.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.052 -0.522 . . . . 63.240000000000002 110.706 -176.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.62 140.75 47.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.827 -0.624 . . . . 52.409999999999997 111.037 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . . . -140.29 106.91 5.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.828 -0.624 . . . . 54.509999999999998 110.149 177.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 29' ' ' THR . 78.9 m-85 -104.04 112.56 25.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.911 0.386 . . . . 72.239999999999995 110.792 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.623 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 96.8 m -91.97 122.17 34.24 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.888 -0.596 . . . . 73.519999999999996 109.861 176.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.443 ' HZ ' ' CD2' ' A' ' 93' ' ' PHE . 64.1 m-85 -107.47 -174.25 2.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.683 -0.69 . . . . 71.129999999999995 109.825 -177.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.2 m -69.87 -44.85 68.96 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.139 0.495 . . . . 44.119999999999997 110.225 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 34.8 t -148.78 179.47 7.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.428 -0.582 . . . . 55.210000000000001 109.428 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.563 ' O ' HG12 ' A' ' 91' ' ' ILE . 32.0 tt0 -75.03 -17.09 60.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.641 0.258 . . . . 72.510000000000005 111.238 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.88 -50.5 73.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.905 0.384 . . . . 63.020000000000003 110.637 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' HG3' ' HB3' ' A' ' 84' ' ' PHE . 2.1 pm0 -74.74 -26.0 59.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.209 -0.451 . . . . 72.200000000000003 111.045 176.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.54 ' HB3' ' HA ' ' A' ' 87' ' ' GLN . 19.3 ttt -60.69 -56.87 16.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.193 -0.458 . . . . 70.219999999999999 111.43 177.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.708 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 17.9 pt -63.27 -44.84 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 112.086 0.402 . . . . 65.230000000000004 112.086 -174.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.513 ' HA ' HD12 ' A' ' 95' ' ' LEU . 2.8 pp -64.79 -29.72 48.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.753 0.311 . . . . 60.399999999999999 111.179 -177.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.589 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 69.2 t80 -64.7 -51.57 61.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.046 -0.524 . . . . 72.430000000000007 110.825 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.402 ' HA ' HD12 ' A' ' 97' ' ' LEU . 6.2 pt-20 -72.9 -27.54 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 73.109999999999999 111.701 -177.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 97.6 mt -56.65 -50.5 71.87 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.213 0.53 . . . . 72.430000000000007 109.594 173.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 100' ' ' LEU . 62.1 m -62.72 -40.67 97.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.487 -0.779 . . . . 64.140000000000001 111.47 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.3 mt -53.24 -48.46 68.19 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.996 0.427 . . . . 73.120000000000005 111.233 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.469 ' HD3' HG21 ' A' ' 19' ' ' ILE . 56.3 mtt180 -77.23 -38.28 51.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.53 -0.759 . . . . 73.409999999999997 111.788 -171.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 61.6 m -74.68 -22.0 59.11 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.905 0.383 . . . . 63.409999999999997 111.62 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 96' ' ' SER . 13.5 tp -83.75 -46.93 11.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.94 0.4 . . . . 74.329999999999998 111.153 -176.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.1 -43.86 32.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.892 -0.594 . . . . 63.219999999999999 110.604 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 60.7 mt 46.31 35.37 2.68 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.533 -0.758 . . . . 52.32 112.036 -175.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.64 ' HG2' ' H ' ' A' ' 104' ' ' HIS . 18.1 tt0 -93.22 177.89 5.91 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.515 -0.55 . . . . 74.409999999999997 109.515 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.64 ' H ' ' HG2' ' A' ' 103' ' ' GLU . 35.5 m80 -74.08 122.64 23.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.233 0.539 . . . . 64.120000000000005 111.417 -176.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -82.22 81.34 8.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.681 -0.691 . . . . 74.209999999999994 110.029 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.62 107.74 19.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.898 -0.592 . . . . 71.150000000000006 110.495 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -178.1 -27.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.833 -0.621 . . . . 74.340000000000003 110.107 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 65.94 14.21 9.46 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.443 -0.799 . . . . 44.200000000000003 111.281 178.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.463 -0.78 . . . . 54.200000000000003 109.302 179.152 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.405 0.145 . . . . 74.519999999999996 110.804 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 47.59 61.26 3.02 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 124.108 0.88 . . . . 74.519999999999996 112.489 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 56.4 ttp -143.4 90.18 2.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.131 0.491 . . . . 61.0 110.338 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -119.78 84.24 2.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.501 -0.772 . . . . 72.25 109.811 176.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -122.49 100.26 6.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.025 -0.534 . . . . 75.430000000000007 110.157 -177.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.8 t -84.13 121.57 36.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.84 -0.618 . . . . 71.409999999999997 110.582 -178.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.84 136.2 59.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.878 0.371 . . . . 71.420000000000002 110.515 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -161.15 133.38 5.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.114 -0.493 . . . . 74.109999999999999 110.242 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.96 161.83 20.92 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.827 -0.624 . . . . 65.200000000000003 111.602 -174.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.5 p -124.7 94.57 4.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.725 -0.671 . . . . 72.230000000000004 109.977 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t -158.44 92.31 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.034 -0.53 . . . . 75.010000000000005 110.36 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.653 HG23 ' HG3' ' A' ' 13' ' ' LYS . 14.5 t -155.48 -16.38 0.11 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.055 -0.52 . . . . 43.039999999999999 110.34 176.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.653 ' HG3' HG23 ' A' ' 12' ' ' THR . 48.0 mtpt -115.71 138.69 50.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.866 -0.606 . . . . 61.420000000000002 109.903 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.55 91.01 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 119.962 -1.113 . . . . 54.299999999999997 113.422 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.7 t 54.72 87.64 0.04 OUTLIER 'General case' 0 C--O 1.234 0.249 0 C-N-CA 123.058 0.543 . . . . 64.129999999999995 111.807 175.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.36 -61.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.271 -0.422 . . . . 75.450000000000003 111.251 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.626 HG21 ' HA ' ' A' ' 56' ' ' ALA . 17.3 pt -102.8 76.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.148 0.499 . . . . 75.239999999999995 112.251 -174.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -177.93 104.58 0.05 OUTLIER 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.293 -0.867 . . . . 61.32 109.818 173.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.624 HD12 ' HB3' ' A' ' 95' ' ' LEU . 63.4 mt -90.09 -61.9 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.046 -0.524 . . . . 74.239999999999995 110.874 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.85 32.33 1.02 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.784 -0.722 . . . . 53.240000000000002 111.644 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.1 m -124.66 122.16 36.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.841 0.353 . . . . 74.200000000000003 110.157 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.0 m -87.77 149.29 4.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.688 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.5 tt -158.95 -47.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.25 -0.432 . . . . 75.219999999999999 110.377 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 67.66 107.15 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.851 0.719 . . . . 71.319999999999993 111.715 175.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -79.4 160.42 26.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.633 -0.712 . . . . 52.200000000000003 111.202 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -87.19 -17.39 32.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.435 -0.802 . . . . 65.329999999999998 110.327 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -156.3 168.03 28.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.019 -0.537 . . . . 70.209999999999994 109.717 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.2 m -98.57 13.4 32.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.0 0.429 . . . . 52.210000000000001 111.838 -175.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 m -100.2 123.13 44.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.983 0.421 . . . . 52.240000000000002 109.953 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.624 ' HB3' ' HB2' ' A' ' 82' ' ' PHE . 14.0 t -98.61 105.13 17.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.789 0.328 . . . . 72.530000000000001 110.343 -176.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -101.3 121.86 42.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.975 -0.557 . . . . 54.539999999999999 110.245 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.419 ' CE2' ' HB2' ' A' ' 34' ' ' ARG . 68.0 t80 -124.3 117.55 24.78 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.242 -0.651 . . . . 71.140000000000001 109.242 174.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -125.68 106.72 9.93 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.761 -0.459 . . . . 73.219999999999999 109.761 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.419 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 1.8 tmt_? -132.51 144.63 50.57 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.753 -0.462 . . . . 73.540000000000006 109.753 -174.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.501 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 78.8 m-85 -94.86 130.5 41.43 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.277 -0.419 . . . . 74.340000000000003 109.964 178.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.501 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 80.7 m-85 -120.97 156.75 31.43 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.65 -0.25 . . . . 72.439999999999998 110.794 -178.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.75 -49.27 58.39 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.849 0.718 . . . . 61.409999999999997 112.138 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.4 p -135.26 168.5 19.07 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.601 -0.272 . . . . 72.109999999999999 110.364 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.682 ' HA ' HG21 ' A' ' 76' ' ' VAL . 20.3 ptp180 -66.26 -19.6 65.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.323 0.582 . . . . 75.409999999999997 109.511 177.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -62.61 -49.51 74.92 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.224 -0.898 . . . . 73.040000000000006 110.145 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.501 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 20.5 mm-40 -58.1 -29.66 65.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.856 -1.065 . . . . 71.239999999999995 110.944 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.603 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -68.78 -48.66 63.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.834 -0.621 . . . . 72.340000000000003 110.111 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -63.04 -38.4 91.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.76 -0.655 . . . . 61.210000000000001 110.823 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -60.83 -38.58 85.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.415 -0.357 . . . . 65.420000000000002 111.255 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.515 ' O ' HD23 ' A' ' 49' ' ' LEU . 50.5 t80 -71.89 -39.41 69.59 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.511 -0.551 . . . . 73.310000000000002 109.511 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.451 ' O ' ' HD3' ' A' ' 50' ' ' LYS . 40.3 tpp -67.7 -29.92 69.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.885 -0.598 . . . . 75.349999999999994 111.072 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.9 m -59.81 -48.48 81.5 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 120.696 0.284 . . . . 75.349999999999994 111.335 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -73.14 -27.18 61.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.13 0.491 . . . . 64.430000000000007 110.724 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 45' ' ' PHE . 1.2 mm? -63.26 -34.62 78.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.642 -0.708 . . . . 74.129999999999995 111.059 175.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 46' ' ' MET . 1.8 mptm? -53.76 -49.29 68.54 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.892 0.377 . . . . 72.540000000000006 110.792 176.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -61.04 -47.51 86.07 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.624 -0.716 . . . . 73.430000000000007 110.656 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.677 HD11 HD22 ' A' ' 100' ' ' LEU . 96.7 mt -63.08 -50.09 71.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.32 -0.855 . . . . 75.109999999999999 111.496 -176.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.65 -37.58 76.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 64.299999999999997 111.238 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.75 78.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 73.329999999999998 111.556 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.38 -29.99 23.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.338 -0.392 . . . . 52.200000000000003 111.677 -177.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.626 ' HA ' HG21 ' A' ' 17' ' ' ILE . . . -77.49 -52.13 9.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.186 0.439 . . . . 70.329999999999998 112.186 -175.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.1 t -77.95 141.11 39.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.158 0.504 . . . . 72.349999999999994 111.395 -173.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.6 p -72.87 -11.64 60.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.575 -0.739 . . . . 62.200000000000003 110.472 175.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.96 -13.56 60.53 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.076 -0.511 . . . . 63.409999999999997 109.967 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.2 t70 72.63 -37.63 0.39 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.216 -0.902 . . . . 73.150000000000006 112.503 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -86.13 5.13 35.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.654 0.264 . . . . 75.400000000000006 111.566 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.8 8.95 60.25 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.834 -0.698 . . . . 63.520000000000003 112.97 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.488 ' HB1' ' O ' ' A' ' 83' ' ' THR . . . 64.82 -162.02 0.27 Allowed 'General case' 0 C--O 1.234 0.27 0 C-N-CA 122.665 0.386 . . . . 72.140000000000001 110.864 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.522 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 19.9 m -66.75 108.86 2.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.065 -0.346 . . . . 73.519999999999996 110.065 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -117.36 124.48 73.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.313 0.578 . . . . 61.350000000000001 111.214 -177.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.24 143.34 35.93 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.645 -0.707 . . . . 75.5 109.142 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -154.5 152.9 30.64 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.534 -0.466 . . . . 72.109999999999999 110.939 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 47.0 mtmt -131.65 160.14 36.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.759 -0.655 . . . . 74.219999999999999 110.463 175.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.42 HG12 HD23 ' A' ' 78' ' ' LEU . 63.3 mt -132.24 104.52 7.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.928 -1.033 . . . . 75.510000000000005 109.291 176.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -98.8 123.78 43.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.971 0.415 . . . . 75.549999999999997 110.039 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.664 ' HA ' HG12 ' A' ' 76' ' ' VAL . 8.1 p-10 -76.17 131.82 39.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.697 -0.683 . . . . 63.240000000000002 110.74 -177.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.5 mt -126.12 -172.78 2.69 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.468 -0.567 . . . . 55.420000000000002 109.468 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.56 106.34 16.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.057 0.456 . . . . 75.209999999999994 109.917 -179.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.67 -1.61 88.71 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.653 -0.703 . . . . 62.130000000000003 113.007 175.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -163.18 169.92 18.57 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.934 -0.395 . . . . 64.400000000000006 109.934 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.682 HG21 ' HA ' ' A' ' 39' ' ' ARG . 27.7 m -130.89 160.89 41.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.611 -0.268 . . . . 73.140000000000001 110.553 177.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -102.24 114.26 28.26 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.106 -0.497 . . . . 74.430000000000007 110.339 176.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.603 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.2 tm? -95.34 111.42 23.29 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.186 -1.042 . . . . 74.200000000000003 108.186 174.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -118.13 106.1 12.51 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.894 -0.594 . . . . 75.019999999999996 110.005 -175.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.03 134.9 50.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.105 -0.498 . . . . 64.140000000000001 111.394 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.94 110.04 13.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.601 -0.727 . . . . 53.0 110.437 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.624 ' HB2' ' HB3' ' A' ' 30' ' ' SER . 92.5 m-85 -109.92 151.84 26.57 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.755 -0.461 . . . . 75.549999999999997 109.755 176.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.522 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 37.5 m -137.5 103.88 5.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.632 -0.507 . . . . 61.43 109.632 174.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.59 ' HB3' ' HG3' ' A' ' 89' ' ' GLU . 97.7 m-85 -88.88 162.38 16.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.804 -0.635 . . . . 73.340000000000003 111.46 -171.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.3 m -69.54 -32.48 71.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.64 -0.709 . . . . 64.120000000000005 110.918 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 53.2 t -144.38 155.8 43.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.23 -0.441 . . . . 71.150000000000006 110.277 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.642 ' HA ' ' HB3' ' A' ' 90' ' ' MET . 6.0 tt0 -67.5 -21.85 65.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.383 -0.371 . . . . 73.420000000000002 110.674 177.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.46 -45.06 81.05 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.418 -0.355 . . . . 71.239999999999995 110.752 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.59 ' HG3' ' HB3' ' A' ' 84' ' ' PHE . 7.0 pt-20 -82.03 -26.0 34.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 73.349999999999994 110.722 178.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.642 ' HB3' ' HA ' ' A' ' 87' ' ' GLN . 13.3 tpt -62.48 -56.91 13.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.008 -0.542 . . . . 72.120000000000005 111.366 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.568 HG12 ' O ' ' A' ' 87' ' ' GLN . 24.6 pt -59.83 -45.8 94.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.457 -0.338 . . . . 74.420000000000002 111.805 -175.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.439 ' N ' HG13 ' A' ' 91' ' ' ILE . 2.8 pp -68.76 -29.65 44.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.51 0.195 . . . . 61.25 111.072 -176.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.596 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 92.6 t80 -65.8 -52.4 51.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.538 -0.301 . . . . 71.109999999999999 110.823 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -73.15 -28.74 62.4 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.892 -0.323 . . . . 70.150000000000006 111.169 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.624 ' HB3' HD12 ' A' ' 19' ' ' ILE . 69.3 mt -65.83 -46.66 77.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.929 0.395 . . . . 62.310000000000002 109.941 173.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 100' ' ' LEU . 10.9 t -66.86 -22.6 65.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.972 -0.558 . . . . 74.299999999999997 111.33 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.1 mt -62.02 -50.51 71.73 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.369 0.604 . . . . 75.420000000000002 109.949 174.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -72.28 -29.79 64.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.168 -0.924 . . . . 54.340000000000003 110.922 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.9 m -97.8 8.49 44.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.951 -0.568 . . . . 64.400000000000006 112.448 -173.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.677 HD22 HD11 ' A' ' 52' ' ' LEU . 29.7 tp -87.01 -27.25 23.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.351 0.596 . . . . 64.409999999999997 109.987 177.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.06 -20.63 25.48 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.703 -0.681 . . . . 54.399999999999999 109.392 174.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.8 mt -129.33 85.82 2.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.105 -0.952 . . . . 44.340000000000003 109.875 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -78.06 10.64 2.76 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.305 0.483 . . . . 71.129999999999995 112.305 -175.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -74.04 -12.23 60.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.136 -0.69 . . . . 61.43 109.136 169.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -108.16 71.06 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.77 -0.65 . . . . 65.219999999999999 109.951 173.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -151.85 -30.93 0.16 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.586 -0.524 . . . . 74.319999999999993 109.586 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -94.01 144.14 25.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.74 -0.663 . . . . 74.450000000000003 109.874 171.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 179.58 -24.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.896 -0.779 . . . . 74.140000000000001 108.896 -174.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 8.3 p80 . . . . . 0 C--O 1.246 0.89 0 CA-C-N 114.655 -1.157 . . . . 72.510000000000005 109.499 178.568 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.867 0.365 . . . . 74.310000000000002 110.449 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.26 81.35 0.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.707 -0.679 . . . . 73.219999999999999 110.073 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -142.14 105.21 4.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.358 0.599 . . . . 74.140000000000001 110.756 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -130.19 33.12 4.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.535 -0.757 . . . . 74.040000000000006 109.278 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -83.29 101.09 11.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.995 0.902 . . . . 74.420000000000002 111.572 -174.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.7 m -142.38 35.47 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.81 -1.086 . . . . 63.329999999999998 109.409 174.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.9 t -86.3 94.35 4.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 114.897 -1.047 . . . . 53.25 111.562 -171.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -146.55 147.57 31.26 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.049 -0.722 . . . . 73.219999999999999 109.049 171.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -130.28 90.42 2.94 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.977 0.894 . . . . 70.140000000000001 110.356 -176.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.54 112.23 24.89 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.783 -1.099 . . . . 63.420000000000002 111.108 -177.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.6 t -143.48 91.31 2.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.73 -0.668 . . . . 51.25 109.907 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.7 p -105.01 133.98 48.88 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.849 -0.614 . . . . 71.349999999999994 109.975 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -93.76 -46.32 7.28 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.863 -0.608 . . . . 74.400000000000006 109.914 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.79 -115.92 5.44 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.899 -0.667 . . . . 74.319999999999993 112.283 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.1 t 68.62 5.97 5.19 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.023 0.529 . . . . 64.310000000000002 111.473 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.96 98.13 11.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.6 -0.273 . . . . 45.530000000000001 111.327 -176.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.5 mm 70.27 135.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 O-C-N 123.787 0.68 . . . . 75.450000000000003 111.484 176.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.84 -54.26 16.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.974 0.416 . . . . 71.400000000000006 110.402 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.542 HG12 ' OG ' ' A' ' 99' ' ' SER . 6.0 mt -111.65 -74.53 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.749 0.785 . . . . 75.310000000000002 110.375 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 152.47 -28.99 0.86 Allowed Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 109.919 -1.272 . . . . 50.200000000000003 109.919 -174.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -86.55 130.88 34.33 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.301 -0.629 . . . . 73.510000000000005 109.301 173.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.9 m -120.7 176.24 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.72 0.295 . . . . 71.549999999999997 111.28 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 68.8 mt 66.27 77.44 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.961 0.886 . . . . 74.400000000000006 111.297 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -129.07 21.13 5.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.679 -1.146 . . . . 65.439999999999998 108.797 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.404 ' HB3' HG21 ' A' ' 91' ' ' ILE . 4.6 p-10 -83.59 160.86 21.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.227 -0.897 . . . . 75.25 111.511 -174.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -155.49 -63.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.428 -0.806 . . . . 72.030000000000001 109.591 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -141.93 -172.19 3.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.575 -0.738 . . . . 64.319999999999993 109.401 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.6 m -83.73 -16.92 43.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.675 0.75 . . . . 63.409999999999997 109.532 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.6 m -104.41 121.48 43.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.1 -0.954 . . . . 44.200000000000003 109.93 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t -105.4 133.6 49.89 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.657 -0.497 . . . . 44.140000000000001 109.657 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 3.0 mmmp? -99.35 112.35 24.55 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.647 -0.501 . . . . 74.420000000000002 109.647 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.581 ' HE2' ' HE2' ' A' ' 45' ' ' PHE . 84.7 t80 -115.37 119.95 37.97 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.866 -0.606 . . . . 72.439999999999998 110.211 -175.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 9.4 p -115.18 139.82 49.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.552 0.692 . . . . 51.43 111.388 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -139.03 144.55 38.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.135 -0.939 . . . . 61.310000000000002 109.555 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -115.15 129.65 56.72 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.016 0.436 . . . . 71.019999999999996 110.401 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -131.73 174.02 10.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.624 -0.716 . . . . 52.009999999999998 110.561 -176.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.26 -58.01 5.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.89 -0.595 . . . . 64.329999999999998 110.857 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 49.1 p -122.86 160.47 26.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.519 -0.31 . . . . 62.409999999999997 110.543 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.731 ' HG3' HG21 ' A' ' 69' ' ' ILE . 32.7 ttt180 -55.27 -32.17 62.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.094 0.473 . . . . 71.310000000000002 110.264 175.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -54.74 -52.27 63.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.52 -0.764 . . . . 73.150000000000006 110.436 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.97 -29.05 69.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.047 -0.979 . . . . 72.129999999999995 110.555 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.51 -48.41 22.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.768 -0.651 . . . . 62.119999999999997 110.825 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.37 -25.67 66.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 73.530000000000001 110.706 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.2 m -65.05 -28.74 69.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 64.400000000000006 110.865 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.581 ' HE2' ' HE2' ' A' ' 32' ' ' PHE . 38.3 t80 -79.27 -34.78 42.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.293 0.568 . . . . 63.229999999999997 109.513 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 37.4 tpp -65.29 -36.25 83.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.514 -0.766 . . . . 75.319999999999993 111.412 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.5 m -56.17 -52.0 65.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.482 -0.327 . . . . 53.030000000000001 111.805 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -72.57 -28.74 63.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.904 0.383 . . . . 72.439999999999998 111.417 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.472 HD12 ' HZ ' ' A' ' 93' ' ' PHE . 3.4 mm? -69.94 -24.98 63.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.437 -0.347 . . . . 75.519999999999996 111.219 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -56.92 -44.09 82.06 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.053 0.454 . . . . 70.120000000000005 110.861 176.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -63.14 -44.95 94.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.63 -0.714 . . . . 71.209999999999994 110.355 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.405 HD12 HD13 ' A' ' 49' ' ' LEU . 88.8 mt -64.82 -42.67 94.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.257 -0.883 . . . . 60.109999999999999 111.245 -177.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.27 -43.11 99.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.697 0.284 . . . . 65.030000000000001 111.479 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.29 83.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.992 0.425 . . . . 75.25 110.832 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.06 -35.58 80.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.962 -0.563 . . . . 43.43 110.801 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 93' ' ' PHE . . . -64.14 -48.82 74.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.692 -0.685 . . . . 65.319999999999993 111.128 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.575 ' HA ' ' HB3' ' A' ' 89' ' ' GLU . 9.3 t -64.45 -24.18 67.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.127 0.489 . . . . 44.020000000000003 110.066 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.1 m 66.3 8.98 6.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.452 -0.794 . . . . 52.409999999999997 111.621 174.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -101.64 19.67 17.63 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.058 -0.519 . . . . 63.229999999999997 111.396 -175.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 66.84 -73.19 0.08 Allowed 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.75 0.656 . . . . 73.200000000000003 111.372 177.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -99.51 -21.43 15.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.493 -0.776 . . . . 73.319999999999993 110.313 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.94 115.73 8.28 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.549 -0.75 . . . . 73.140000000000001 112.588 -178.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.05 124.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 122.715 0.406 . . . . 71.239999999999995 109.965 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.64 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 68.9 m -119.87 119.65 34.16 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.819 -0.437 . . . . 73.420000000000002 109.819 176.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -134.1 115.87 21.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.545 0.688 . . . . 54.409999999999997 111.278 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -108.49 96.54 6.42 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.002 -0.74 . . . . 55.100000000000001 109.002 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 38.2 p90 -106.38 135.6 47.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.392 0.615 . . . . 72.409999999999997 111.245 -175.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -111.58 139.0 47.38 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.088 -0.96 . . . . 54.009999999999998 109.401 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.731 HG21 ' HG3' ' A' ' 39' ' ' ARG . 26.4 mt -122.76 106.81 18.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.865 -0.607 . . . . 60.229999999999997 109.449 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.642 ' HB3' ' HG2' ' A' ' 77' ' ' GLU . 49.2 tptt -100.87 116.39 32.64 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.349 -0.54 . . . . 71.439999999999998 110.363 -176.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.743 ' HA ' HG12 ' A' ' 76' ' ' VAL . 4.7 m-20 -75.22 103.67 5.48 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.899 -1.046 . . . . 73.409999999999997 109.192 176.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.4 mt -97.78 -169.69 1.87 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.818 -0.628 . . . . 74.099999999999994 110.958 -173.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' A' ' 73' ' ' GLU . 5.8 pt-20 -89.85 101.55 14.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.448 -0.796 . . . . 60.32 110.687 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.01 -11.0 73.5 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.673 -0.694 . . . . 51.43 112.645 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -156.52 179.0 9.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.751 -0.463 . . . . 74.340000000000003 109.751 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.743 HG12 ' HA ' ' A' ' 71' ' ' ASP . 29.8 m -137.03 154.91 31.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 110.065 -0.346 . . . . 62.25 110.065 174.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.642 ' HG2' ' HB3' ' A' ' 70' ' ' LYS . 12.8 pt-20 -113.89 126.12 54.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.625 0.726 . . . . 73.439999999999998 110.218 174.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -97.45 107.73 20.31 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.673 -1.148 . . . . 73.450000000000003 107.923 174.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -113.57 100.08 8.23 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.531 -0.759 . . . . 73.519999999999996 109.563 -173.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -108.49 124.57 50.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.162 0.506 . . . . 51.140000000000001 111.884 -174.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.28 101.01 12.47 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.661 -0.7 . . . . 65.209999999999994 110.036 172.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -90.09 117.21 28.69 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.695 -0.483 . . . . 75.010000000000005 109.695 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.64 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 10.0 m -109.56 105.32 14.58 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.039 -0.528 . . . . 61.25 110.413 -176.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.415 ' HB3' ' HB2' ' A' ' 89' ' ' GLU . 99.2 m-85 -96.72 157.02 16.1 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.813 -0.63 . . . . 55.520000000000003 109.813 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.1 m -83.41 -16.21 46.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.211 0.529 . . . . 74.219999999999999 110.387 -177.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.575 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 21.6 m -134.19 141.24 46.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.14 -0.689 . . . . 74.0 109.14 174.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.572 ' O ' HG12 ' A' ' 91' ' ' ILE . 29.3 tt0 -65.6 -27.02 68.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.784 0.326 . . . . 71.129999999999995 110.25 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.79 77.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.93 -0.577 . . . . 74.409999999999997 110.467 175.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.575 ' HB3' ' HA ' ' A' ' 57' ' ' SER . 45.7 mt-10 -65.86 -31.75 72.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.817 -0.629 . . . . 70.439999999999998 110.32 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.58 ' HE3' HG23 ' A' ' 91' ' ' ILE . 16.7 tmm? -72.72 -49.85 28.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.688 -0.687 . . . . 63.439999999999998 110.638 -178.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.613 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 7.6 pt -67.6 -38.63 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.16 0.43 . . . . 63.219999999999999 112.16 -176.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 pp -65.95 -30.28 49.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 121.059 0.457 . . . . 71.439999999999998 110.144 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.578 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 53.9 t80 -68.91 -50.5 49.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.532 -0.758 . . . . 73.409999999999997 109.808 175.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.593 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 77.2 mm-40 -56.71 -38.34 72.19 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.578 -0.737 . . . . 73.099999999999994 112.08 178.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 82.9 mt -59.92 -53.46 57.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.657 -0.247 . . . . 72.200000000000003 110.992 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.1 m -60.72 -34.52 74.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.578 -0.283 . . . . 73.0 110.931 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 74.7 mt -63.09 -40.83 98.81 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.966 0.412 . . . . 74.049999999999997 110.663 177.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.593 ' NH1' ' HB3' ' A' ' 94' ' ' GLU . 48.5 mtt85 -67.95 -40.73 83.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.915 -0.584 . . . . 75.439999999999998 111.049 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.542 ' OG ' HG12 ' A' ' 19' ' ' ILE . 41.0 m -64.59 -34.67 78.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.003 0.43 . . . . 64.439999999999998 110.935 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.5 tp -75.04 -19.71 59.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.109 0.481 . . . . 74.420000000000002 110.58 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' A' ' 105' ' ' HIS . . . -86.64 5.42 36.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.245 -0.434 . . . . 70.420000000000002 110.744 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.4 mt -92.1 -25.68 18.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.414 . . . . 61.240000000000002 111.271 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -85.32 -32.1 22.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.691 0.281 . . . . 74.120000000000005 110.988 -178.757 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -119.4 89.7 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.338 0.59 . . . . 73.140000000000001 109.967 170.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.545 ' HB2' ' O ' ' A' ' 101' ' ' ALA . 58.5 t-80 -137.91 97.94 3.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.328 -0.851 . . . . 70.109999999999999 110.264 -176.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -65.9 144.55 56.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.648 -0.871 . . . . 64.319999999999993 108.648 168.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -51.63 -47.18 63.78 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.431 0.457 . . . . 63.130000000000003 111.659 -170.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -156.37 -57.65 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.764 -0.458 . . . . 75.329999999999998 109.764 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 52.2 m80 . . . . . 0 C--O 1.244 0.8 0 N-CA-C 108.733 -0.84 . . . . 75.230000000000004 108.733 171.572 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.998 0.428 . . . . 61.439999999999998 110.096 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.03 96.94 2.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.108 -0.496 . . . . 63.450000000000003 110.486 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.0 ptm -155.17 111.19 3.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.309 0.576 . . . . 72.209999999999994 109.853 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -85.37 -30.35 23.72 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.666 -0.697 . . . . 63.119999999999997 110.851 -176.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -122.81 116.64 24.03 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.006 -0.543 . . . . 72.230000000000004 110.805 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.8 m -92.25 131.42 39.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-N 115.961 -0.563 . . . . 55.399999999999999 110.658 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.0 t -102.16 122.65 54.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.106 -0.497 . . . . 72.519999999999996 110.755 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -159.06 118.66 3.05 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.7 -0.682 . . . . 75.230000000000004 109.365 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -95.84 111.53 23.49 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.671 -0.695 . . . . 65.519999999999996 110.298 -175.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 p -111.56 89.3 3.02 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.916 -0.584 . . . . 44.43 111.331 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.1 t -81.13 137.84 35.93 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.138 -1.06 . . . . 64.349999999999994 108.138 171.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.9 m -77.35 85.84 3.76 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.426 0.632 . . . . 71.319999999999993 111.794 -172.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 19.3 ptmt -158.67 97.27 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.466 -0.788 . . . . 71.150000000000006 110.238 172.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.22 53.88 0.57 Allowed Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.183 -0.767 . . . . 72.430000000000007 111.183 176.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.8 m -84.35 80.19 9.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.265 0.555 . . . . 74.430000000000007 110.489 -177.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -142.97 104.64 4.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.611 -0.722 . . . . 73.340000000000003 110.453 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 tp -81.49 115.56 24.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.242 0.544 . . . . 71.439999999999998 109.68 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.498 ' HA ' HD13 ' A' ' 95' ' ' LEU . 13.1 t0 -161.07 135.46 7.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.658 -0.701 . . . . 74.5 111.011 -175.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.756 ' H ' HD22 ' A' ' 95' ' ' LEU . 44.6 mm -99.86 -11.42 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.52 -0.764 . . . . 71.010000000000005 109.887 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.04 9.6 31.81 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.515 -0.85 . . . . 72.219999999999999 112.286 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 m -81.29 100.41 9.16 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.395 -0.595 . . . . 61.109999999999999 109.395 176.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.1 125.08 61.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 121.584 0.706 . . . . 63.149999999999999 111.374 -174.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.6 tt -133.35 129.4 56.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.189 -0.914 . . . . 72.239999999999995 108.802 174.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -67.51 -78.39 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.96 0.409 . . . . 71.219999999999999 110.819 -173.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -161.23 139.03 9.27 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.92 -0.77 . . . . 71.120000000000005 108.92 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.462 ' HB3' ' H ' ' A' ' 27' ' ' ASN . 6.0 m-20 -159.37 -147.6 0.17 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.248 -0.887 . . . . 61.009999999999998 108.722 -171.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.462 ' H ' ' HB3' ' A' ' 26' ' ' ASP . 17.0 p30 -85.51 176.58 8.15 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.528 -0.545 . . . . 63.229999999999997 109.528 171.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 67.1 m -104.97 13.25 31.3 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.033 0.444 . . . . 71.420000000000002 110.474 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.531 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 34.7 m -105.59 120.34 41.41 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.743 -0.662 . . . . 52.130000000000003 110.478 177.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.553 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 38.0 t -98.04 125.37 42.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.849 0.357 . . . . 65.549999999999997 110.383 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -100.57 112.02 24.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.766 -0.652 . . . . 62.310000000000002 109.585 174.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -120.58 117.89 28.77 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.038 -0.528 . . . . 74.310000000000002 110.116 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -115.24 113.38 23.81 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.183 -0.462 . . . . 74.150000000000006 109.909 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HD3' ' N ' ' A' ' 35' ' ' PHE . 1.5 tmt_? -123.23 134.94 54.08 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.423 -0.584 . . . . 73.040000000000006 109.423 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.425 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 78.2 m-85 -92.59 128.73 38.55 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.81 -0.632 . . . . 71.299999999999997 110.379 -178.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -121.14 169.06 10.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.249 -0.432 . . . . 74.019999999999996 110.323 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.58 -57.9 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.36 -0.382 . . . . 74.340000000000003 111.135 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.0 p -120.75 165.1 15.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.374 -0.376 . . . . 62.130000000000003 111.401 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -66.37 -21.97 66.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.439 0.638 . . . . 75.420000000000002 109.616 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -67.59 -45.67 74.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.302 -0.863 . . . . 71.329999999999998 109.88 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.99 -28.24 66.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.296 -0.865 . . . . 71.109999999999999 110.606 175.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.568 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -74.04 -51.41 15.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.835 -0.621 . . . . 71.030000000000001 110.82 -179.003 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.54 -36.67 83.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.044 -0.526 . . . . 70.209999999999994 111.165 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.9 m -65.71 -28.4 69.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.227 -0.442 . . . . 75.109999999999999 111.022 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.414 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 76.2 t80 -79.76 -44.62 20.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.952 0.405 . . . . 62.229999999999997 110.032 178.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.429 ' HA ' ' HB2' ' A' ' 49' ' ' LEU . 34.8 tpp -69.12 -39.13 79.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.937 -0.574 . . . . 61.229999999999997 111.863 -175.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 54.9 m -60.15 -44.79 94.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.587 0.232 . . . . 73.310000000000002 111.498 -178.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -74.22 -26.79 60.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.822 0.344 . . . . 55.450000000000003 110.39 177.44 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.457 HD13 HD12 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -61.75 -29.66 70.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.407 -0.36 . . . . 64.200000000000003 110.737 175.042 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HE2' HG11 ' A' ' 65' ' ' VAL . 2.2 mptm? -60.4 -34.66 74.23 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.259 -0.428 . . . . 71.340000000000003 110.66 175.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.52 -43.14 90.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.299 0.571 . . . . 61.310000000000002 110.139 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.633 HD11 HD13 ' A' ' 100' ' ' LEU . 92.1 mt -62.66 -50.17 72.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.348 -0.842 . . . . 61.530000000000001 111.074 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.32 92.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 60.43 111.467 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.44 ' HA ' ' HA3' ' A' ' 62' ' ' GLY . . . -61.57 -42.31 98.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 44.340000000000003 111.384 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.67 -26.83 37.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.253 -0.43 . . . . 73.120000000000005 111.342 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.14 -53.43 11.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.35 -0.386 . . . . 72.5 111.262 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.505 ' HB3' ' HA2' ' A' ' 62' ' ' GLY . 48.3 t -88.17 -66.46 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.458 -0.337 . . . . 71.409999999999997 110.865 -177.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m 68.28 16.64 9.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.444 -0.798 . . . . 53.009999999999998 112.084 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.95 -78.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.689 0.281 . . . . 51.310000000000002 110.818 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -100.19 -62.1 1.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.403 0.62 . . . . 72.140000000000001 109.536 173.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -125.56 -19.69 4.92 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.123 -0.944 . . . . 71.530000000000001 109.104 173.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.505 ' HA2' ' HB3' ' A' ' 57' ' ' SER . . . 137.09 71.61 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.509 -0.853 . . . . 64.340000000000003 112.434 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 63.84 -173.6 0.17 Allowed 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 122.857 0.463 . . . . 74.049999999999997 111.623 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.418 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 70.9 m -110.19 122.66 48.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.834 -0.621 . . . . 51.420000000000002 109.86 176.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.432 HG11 ' HE2' ' A' ' 50' ' ' LYS . 4.7 p -107.2 117.31 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.653 0.74 . . . . 42.439999999999998 111.814 -178.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.85 98.81 6.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.301 -0.863 . . . . 64.0 109.242 172.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -121.19 158.55 27.78 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.712 -0.395 . . . . 75.129999999999995 110.448 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -135.87 162.94 31.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.808 -0.633 . . . . 75.019999999999996 111.317 174.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.2 mt -127.57 104.94 13.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.613 -1.176 . . . . 73.219999999999999 108.981 175.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.758 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 88.3 tttt -92.86 118.38 31.06 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.059 0.457 . . . . 55.310000000000002 110.082 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -77.12 106.8 9.06 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.162 -0.926 . . . . 51.210000000000001 109.501 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 94.7 mt -101.33 -174.62 2.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.238 -0.437 . . . . 75.349999999999994 110.57 -176.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -94.95 99.6 11.59 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.098 0.475 . . . . 73.329999999999998 110.393 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.3 6.55 68.54 Favored Glycine 0 CA--C 1.515 0.085 0 CA-C-N 115.762 -0.654 . . . . 75.219999999999999 112.419 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 18.9 pt20 -170.79 179.47 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.328 -0.619 . . . . 74.25 109.328 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.9 m -137.41 154.81 30.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.844 0.354 . . . . 73.239999999999995 110.443 175.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.758 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 28.7 tt0 -104.56 113.47 27.06 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.931 -0.577 . . . . 75.329999999999998 110.014 177.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.568 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.1 tm? -93.43 109.1 20.68 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.146 -1.057 . . . . 51.0 108.146 174.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -113.17 112.02 23.08 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.723 -0.671 . . . . 75.439999999999998 110.029 -173.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.47 136.32 52.11 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.916 0.389 . . . . 73.239999999999995 111.473 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.553 ' HA ' ' O ' ' A' ' 30' ' ' SER . . . -129.39 106.82 9.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.794 -0.639 . . . . 71.120000000000005 109.815 172.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.531 ' O ' ' HA ' ' A' ' 29' ' ' THR . 91.4 m-85 -105.56 116.39 31.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.953 -0.567 . . . . 75.329999999999998 110.475 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.418 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 82.6 m -97.58 107.57 20.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.207 -0.451 . . . . 71.010000000000005 110.278 176.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.409 ' HB3' ' HB2' ' A' ' 89' ' ' GLU . 97.6 m-85 -90.76 171.76 9.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.96 -0.564 . . . . 52.43 110.53 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.71 -46.83 43.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.406 0.622 . . . . 64.030000000000001 109.852 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 81.5 m -134.35 158.97 42.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.445 -0.798 . . . . 74.510000000000005 109.791 175.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.485 ' O ' HG12 ' A' ' 91' ' ' ILE . 26.0 tt0 -60.55 -23.21 64.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.376 -0.375 . . . . 71.319999999999993 111.818 -177.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.63 74.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.816 0.341 . . . . 54.299999999999997 111.135 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 12.0 mt-10 -73.16 -28.69 62.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 71.340000000000003 110.65 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.424 ' HE2' ' HG3' ' A' ' 87' ' ' GLN . 56.8 ttp -75.26 -46.62 32.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 64.329999999999998 110.852 -177.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.513 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 16.4 pt -63.98 -40.86 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.482 -0.326 . . . . 74.200000000000003 111.841 -178.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 44.0 pt -66.59 -31.55 54.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.975 0.417 . . . . 62.409999999999997 110.492 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.597 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 79.1 t80 -67.61 -47.91 68.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.795 -0.638 . . . . 71.439999999999998 110.109 178.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -56.38 -44.31 80.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.555 . . . . 72.049999999999997 111.191 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.756 HD22 ' H ' ' A' ' 19' ' ' ILE . 86.8 mt -62.25 -45.59 92.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 73.439999999999998 110.503 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.8 m -61.84 -32.8 73.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.04 -0.527 . . . . 75.219999999999999 111.303 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 93.8 mt -61.87 -47.01 86.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.022 0.439 . . . . 75.239999999999995 110.503 176.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -65.54 -39.71 92.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.901 -0.59 . . . . 74.400000000000006 110.439 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.9 m -71.41 -10.21 59.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 75.439999999999998 111.677 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.633 HD13 HD11 ' A' ' 52' ' ' LEU . 10.1 tt -90.96 -52.85 4.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.836 0.35 . . . . 74.530000000000001 110.125 178.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.3 -32.5 74.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.857 -0.61 . . . . 70.0 110.141 177.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.4 mp -136.59 91.57 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.548 -0.751 . . . . 72.010000000000005 109.712 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -78.77 148.64 32.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.416 -0.356 . . . . 74.530000000000001 110.581 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.454 ' O ' ' HB2' ' A' ' 105' ' ' HIS . 67.2 m80 65.65 -166.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.695 0.622 . . . . 63.340000000000003 110.152 -177.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' A' ' 104' ' ' HIS . 38.6 m80 72.81 160.37 0.23 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.266 0.555 . . . . 73.120000000000005 111.427 -179.05 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 47.3 t60 60.27 26.08 15.54 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.162 -0.926 . . . . 74.230000000000004 112.251 174.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -79.87 63.46 4.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.314 0.578 . . . . 71.420000000000002 110.711 176.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -132.12 108.98 9.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.746 -0.661 . . . . 65.239999999999995 111.018 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 12.0 m170 . . . . . 0 C--O 1.245 0.861 0 N-CA-C 109.055 -0.72 . . . . 53.32 109.055 174.515 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.7 mtp . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.84 0.353 . . . . 75.109999999999999 110.224 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.87 71.63 1.45 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.142 0.496 . . . . 75.540000000000006 110.374 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -154.39 121.94 5.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.857 -0.61 . . . . 73.310000000000002 110.868 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 ptpp? -160.51 26.37 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.861 -0.609 . . . . 74.209999999999994 110.254 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -68.0 144.94 54.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.862 -0.608 . . . . 71.439999999999998 110.081 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -122.41 136.87 57.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.071 0.462 . . . . 73.430000000000007 110.916 -176.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -125.19 124.45 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 115.949 -0.569 . . . . 73.010000000000005 110.199 176.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -138.56 155.46 48.35 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.94 -0.573 . . . . 53.210000000000001 109.777 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.502 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -109.14 125.0 51.72 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.18 -0.918 . . . . 73.239999999999995 109.942 -173.872 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.1 t -152.58 93.02 1.73 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.098 0.475 . . . . 64.310000000000002 109.981 176.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.5 m -151.16 87.15 1.38 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.911 -0.586 . . . . 73.540000000000006 109.519 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 t -146.37 123.02 11.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.453 0.644 . . . . 54.210000000000001 111.472 -175.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -133.2 164.89 26.04 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.234 -0.893 . . . . 74.099999999999994 108.745 173.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.45 13.31 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 119.556 -1.307 . . . . 40.43 113.82 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.5 t -86.09 96.39 9.86 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.603 -0.888 . . . . 74.120000000000005 108.603 176.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.62 -35.89 17.8 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.326 0.491 . . . . 72.129999999999995 112.326 -171.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.07 164.95 18.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 112.835 0.68 . . . . 72.140000000000001 112.835 -173.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -148.23 123.91 10.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.93 -1.032 . . . . 72.109999999999999 109.365 171.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.527 ' H ' HD22 ' A' ' 95' ' ' LEU . 23.3 mm -100.55 -15.98 7.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.951 0.405 . . . . 60.119999999999997 110.476 -176.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.46 37.38 94.72 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.812 -0.708 . . . . 51.229999999999997 112.157 -176.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 m -81.74 79.44 8.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.564 0.697 . . . . 64.219999999999999 110.924 -177.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 m -126.56 86.9 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.947 -1.024 . . . . 71.430000000000007 110.092 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.6 tp -152.55 129.31 2.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.798 -0.637 . . . . 74.120000000000005 110.444 -177.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.1 t70 62.0 89.64 0.08 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.675 -0.693 . . . . 63.219999999999999 111.609 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -160.09 158.64 30.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.725 -0.671 . . . . 72.310000000000002 110.194 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -156.48 -58.42 0.09 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.722 -0.844 . . . . 64.409999999999997 108.722 176.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -92.53 -170.45 2.48 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.07 -0.968 . . . . 70.450000000000003 109.486 173.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.5 m -104.59 66.02 0.78 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.221 0.534 . . . . 73.430000000000007 109.637 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 89.8 m -144.38 126.48 15.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.717 -0.674 . . . . 72.230000000000004 111.753 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.1 m -96.92 105.41 17.55 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.107 -0.951 . . . . 73.319999999999993 109.513 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.71 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -98.67 113.99 26.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.877 0.846 . . . . 74.200000000000003 109.77 178.439 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -116.15 118.1 31.9 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.659 -1.155 . . . . 54.420000000000002 110.522 -176.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 5.7 m -118.79 118.12 30.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.065 -0.516 . . . . 55.409999999999997 109.924 177.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' A' ' 35' ' ' PHE . 2.3 tmt_? -142.81 141.96 31.76 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.501 -0.555 . . . . 71.420000000000002 109.501 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.413 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 92.5 m-85 -88.08 136.25 33.06 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.177 -0.465 . . . . 72.549999999999997 109.994 -178.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.557 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 64.9 m-85 -123.99 164.03 20.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.677 -0.238 . . . . 71.099999999999994 110.591 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.588 ' O ' ' HA ' ' A' ' 75' ' ' GLN . . . -56.21 -50.04 72.37 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.74 0.65 . . . . 73.450000000000003 112.107 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.1 p -140.86 170.92 14.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.423 -0.353 . . . . 64.420000000000002 110.635 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.462 ' HA ' HG21 ' A' ' 76' ' ' VAL . 19.3 ptt180 -58.95 -28.37 66.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.156 0.503 . . . . 72.5 110.105 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.47 -44.94 95.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.586 -0.734 . . . . 62.200000000000003 110.977 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.561 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 51.8 mm-40 -60.41 -28.83 68.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.189 -0.914 . . . . 71.310000000000002 110.592 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.704 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -70.43 -50.81 34.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.767 -0.651 . . . . 61.009999999999998 110.291 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.57 -35.34 75.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.882 -0.599 . . . . 71.209999999999994 110.721 175.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.6 m -65.05 -28.53 69.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.602 -0.726 . . . . 75.25 111.708 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.494 ' O ' HD23 ' A' ' 49' ' ' LEU . 56.2 t80 -85.52 -29.75 23.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.128 0.489 . . . . 73.200000000000003 110.08 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.634 ' HG3' ' HE3' ' A' ' 50' ' ' LYS . 32.5 tpp -73.03 -41.12 64.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.738 -0.664 . . . . 73.310000000000002 112.071 -173.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.921 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 18.9 m -53.35 -56.0 20.32 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.386 0.513 . . . . 74.409999999999997 112.386 -174.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -67.96 -27.42 66.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.888 0.375 . . . . 53.439999999999998 111.629 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 45' ' ' PHE . 3.5 mm? -70.88 -29.04 65.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.523 -0.308 . . . . 73.25 111.132 177.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.921 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 34.1 mttt -59.1 -42.31 90.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.027 0.441 . . . . 73.340000000000003 110.676 175.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.68 -41.45 95.13 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.555 -0.748 . . . . 55.039999999999999 110.051 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.88 -44.7 65.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.298 -0.864 . . . . 73.230000000000004 111.325 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.38 97.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 72.239999999999995 111.841 -176.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.28 90.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.969 0.414 . . . . 74.129999999999995 111.251 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.05 -17.54 59.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.024 -0.535 . . . . 65.120000000000005 111.277 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.01 -36.7 80.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.186 -0.461 . . . . 63.140000000000001 111.207 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.588 ' HB2' ' HA2' ' A' ' 62' ' ' GLY . 46.5 m -102.64 -25.75 13.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.637 0.256 . . . . 52.539999999999999 111.312 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.4 m 70.02 -17.51 0.25 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.093 0.775 . . . . 70.120000000000005 113.093 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.28 71.47 4.75 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.223 -0.298 . . . . 70.530000000000001 111.533 -177.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 59.04 -85.42 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.686 0.795 . . . . 73.010000000000005 112.348 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -82.77 -20.9 34.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.604 -0.725 . . . . 63.130000000000003 110.329 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.588 ' HA2' ' HB2' ' A' ' 57' ' ' SER . . . 89.41 -99.07 2.52 Favored Glycine 0 N--CA 1.441 -0.994 0 N-CA-C 109.634 -1.386 . . . . 72.420000000000002 109.634 -169.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 83' ' ' THR . . . -167.36 -168.54 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.553 -0.165 . . . . 55.329999999999998 110.553 173.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.429 ' HB2' ' OG1' ' A' ' 83' ' ' THR . 67.7 m -56.39 125.07 20.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.643 0.608 . . . . 53.549999999999997 112.643 -174.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 p -123.45 115.25 44.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.543 0.687 . . . . 73.340000000000003 109.619 172.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.07 115.34 15.66 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.554 -0.748 . . . . 73.420000000000002 109.592 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.548 ' HA ' ' O ' ' A' ' 79' ' ' ASP . 45.4 p90 -124.35 138.33 54.39 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.321 0.581 . . . . 73.030000000000001 111.037 -179.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.491 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 37.7 mtmt -105.86 148.21 27.84 Favored 'General case' 0 CA--C 1.501 -0.908 0 CA-C-N 115.32 -0.855 . . . . 72.109999999999999 109.823 176.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 60.9 mt -122.98 102.21 11.06 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 N-CA-C 107.821 -1.177 . . . . 61.539999999999999 107.821 170.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.413 ' HD2' ' HA ' ' A' ' 70' ' ' LYS . 25.6 tptp -89.2 118.37 28.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.241 0.543 . . . . 64.439999999999998 110.205 -176.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -68.32 112.14 5.02 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.778 -1.101 . . . . 72.219999999999999 110.209 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 78.6 mt -116.35 179.1 4.09 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.716 -0.476 . . . . 75.299999999999997 109.716 175.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -87.48 106.04 17.71 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.282 -0.417 . . . . 71.129999999999995 109.882 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.55 -2.45 84.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.533 -0.842 . . . . 52.100000000000001 112.481 175.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.588 ' HA ' ' O ' ' A' ' 37' ' ' ALA . 20.2 pt20 -165.66 178.13 6.85 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.841 -0.429 . . . . 75.519999999999996 109.841 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.462 HG21 ' HA ' ' A' ' 39' ' ' ARG . 27.4 m -141.61 162.13 20.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.822 0.344 . . . . 71.150000000000006 110.879 176.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 40.2 tt0 -105.37 117.4 33.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.077 -0.511 . . . . 75.299999999999997 109.725 173.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.704 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.3 tm? -96.53 113.92 25.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.897 -0.779 . . . . 74.299999999999997 108.897 175.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.548 ' O ' ' HA ' ' A' ' 67' ' ' TYR . 11.0 t70 -120.98 106.39 11.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.742 -0.663 . . . . 74.519999999999996 110.036 -176.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.83 124.13 47.6 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.784 0.326 . . . . 75.120000000000005 111.561 -176.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.57 102.97 12.0 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.817 -0.438 . . . . 71.219999999999999 109.817 175.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' A' ' 29' ' ' THR . 87.9 m-85 -94.09 126.68 39.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.429 -0.351 . . . . 71.120000000000005 110.259 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.719 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 21.5 m -96.84 146.75 24.62 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.611 -0.515 . . . . 74.230000000000004 109.611 178.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.708 ' HB3' ' HB2' ' A' ' 89' ' ' GLU . 93.5 m-85 -124.2 147.35 48.08 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.222 -0.288 . . . . 73.510000000000005 110.222 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.3 m -65.51 -30.2 70.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.126 -0.488 . . . . 75.209999999999994 110.86 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.651 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 33.5 m -136.09 162.66 32.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.026 -0.534 . . . . 75.030000000000001 109.906 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.573 ' O ' ' HB3' ' A' ' 90' ' ' MET . 29.1 tt0 -75.75 -26.1 57.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.977 0.418 . . . . 75.010000000000005 110.045 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.59 88.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 63.109999999999999 110.082 173.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.708 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 1.3 mm-40 -62.79 -38.39 90.46 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.952 -0.567 . . . . 63.409999999999997 109.582 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.573 ' HB3' ' O ' ' A' ' 87' ' ' GLN . 11.5 tpt -54.05 -58.62 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.131 -0.941 . . . . 74.340000000000003 111.16 177.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.4 pt -70.91 -37.23 67.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.898 0.703 . . . . 73.120000000000005 112.898 -173.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 pp -67.02 -30.61 50.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 120.472 -0.491 . . . . 70.25 110.683 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.569 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 69.5 t80 -67.97 -47.81 67.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.733 -0.469 . . . . 72.540000000000006 109.733 175.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.575 ' O ' ' HD3' ' A' ' 98' ' ' ARG . 6.8 mm-40 -56.18 -47.71 77.78 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.673 -0.694 . . . . 73.140000000000001 110.875 176.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.527 HD22 ' H ' ' A' ' 19' ' ' ILE . 98.1 mt -55.04 -45.15 75.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.182 0.515 . . . . 71.120000000000005 110.881 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.8 m -64.72 -38.58 91.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.682 -0.69 . . . . 75.219999999999999 111.357 -177.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 71.0 mt -63.04 -40.01 96.45 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.999 0.428 . . . . 72.310000000000002 111.099 -179.048 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.575 ' HD3' ' O ' ' A' ' 94' ' ' GLU . 9.7 mpt_? -74.79 -30.56 61.47 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.023 -0.535 . . . . 71.430000000000007 110.103 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.7 m -75.66 -0.74 21.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.149 0.499 . . . . 64.219999999999999 110.585 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.6 tt -109.44 -68.39 0.92 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.826 -0.624 . . . . 60.310000000000002 110.592 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -99.8 -31.06 11.71 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.37 0.507 . . . . 73.409999999999997 112.37 -173.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 98' ' ' ARG . 88.6 mt -105.5 50.95 0.77 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.865 0.364 . . . . 75.409999999999997 110.393 -176.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.4 ' H ' ' HG3' ' A' ' 103' ' ' GLU . 16.8 mt-10 -53.48 -55.84 21.98 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.023 -0.99 . . . . 74.040000000000006 111.464 -173.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -80.59 102.26 9.69 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.268 -0.641 . . . . 73.409999999999997 109.268 176.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -126.92 83.61 2.18 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.805 -0.634 . . . . 75.420000000000002 110.945 -174.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -90.71 97.39 11.15 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.121 -0.696 . . . . 75.420000000000002 109.121 172.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -150.65 96.65 2.39 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.072 -0.714 . . . . 75.010000000000005 109.072 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 67.39 99.93 0.05 Allowed 'General case' 0 N--CA 1.465 0.277 0 O-C-N 124.116 0.885 . . . . 63.299999999999997 110.171 -176.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.521 -0.752 . . . . 74.109999999999999 111.042 -178.255 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.854 0.359 . . . . 72.120000000000005 110.298 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.91 155.59 4.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 62.130000000000003 110.768 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.4 ptm -123.74 141.47 51.99 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.083 -0.71 . . . . 75.219999999999999 109.083 175.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -155.4 102.72 2.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.434 0.635 . . . . 70.040000000000006 111.641 -175.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -141.98 159.77 41.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.787 -0.642 . . . . 74.150000000000006 109.642 174.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.9 m -133.96 160.68 41.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.224 -0.288 . . . . 63.25 110.224 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -130.88 131.6 64.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.271 0.558 . . . . 72.420000000000002 111.077 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -147.1 101.96 3.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.658 -0.701 . . . . 51.310000000000002 109.671 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -158.5 112.02 2.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.684 -0.689 . . . . 72.129999999999995 110.048 -176.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.1 m -143.82 29.26 1.38 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.133 0.492 . . . . 61.240000000000002 110.119 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 p -81.6 95.86 7.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.651 -0.704 . . . . 55.039999999999999 110.387 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.6 m -153.9 101.32 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.142 0.496 . . . . 75.510000000000005 111.305 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -152.92 144.74 23.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.644 -0.707 . . . . 52.009999999999998 109.892 173.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.17 20.66 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.039 -0.601 . . . . 54.43 112.522 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.6 m -79.44 107.86 12.53 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 110.123 -0.325 . . . . 74.010000000000005 110.123 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -152.7 -51.08 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.214 -0.448 . . . . 75.439999999999998 111.408 -176.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.5 tt -74.1 125.3 33.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.329 0.585 . . . . 75.519999999999996 110.877 -176.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -135.08 88.46 2.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.834 -0.621 . . . . 71.010000000000005 110.572 -176.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.1 pp -135.25 120.02 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-O 122.204 1.002 . . . . 53.25 111.363 176.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.66 45.53 2.73 Favored Glycine 0 C--N 1.312 -0.785 0 CA-C-N 114.572 -1.195 . . . . 52.340000000000003 111.436 174.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.3 m -134.56 129.89 35.72 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.173 -0.306 . . . . 55.299999999999997 110.173 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.7 m -114.2 170.46 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.925 0.393 . . . . 72.340000000000003 111.249 -178.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.6 tt -150.95 145.75 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.515 -0.766 . . . . 54.310000000000002 109.26 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -75.74 -82.36 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.667 0.27 . . . . 71.019999999999996 111.271 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -169.04 152.11 5.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.37 -0.377 . . . . 55.039999999999999 110.161 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -139.55 -85.27 0.24 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.261 -0.427 . . . . 55.43 109.948 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -146.34 -155.1 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.603 -0.888 . . . . 73.299999999999997 108.603 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.9 m -111.03 3.91 19.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.383 0.611 . . . . 62.020000000000003 109.739 173.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.7 m -116.44 121.14 40.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.488 -0.778 . . . . 75.340000000000003 109.961 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.835 ' HB2' ' HG3' ' A' ' 90' ' ' MET . 11.6 t -104.17 127.55 51.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.986 0.422 . . . . 33.539999999999999 110.573 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -98.93 127.94 44.97 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.993 -0.549 . . . . 73.049999999999997 109.741 175.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -119.86 118.7 31.46 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.675 -0.491 . . . . 73.510000000000005 109.675 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m -128.57 116.66 19.99 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.134 -0.321 . . . . 45.43 110.134 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -137.89 142.62 40.66 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.092 -0.336 . . . . 72.109999999999999 110.092 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -91.03 144.29 25.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.419 -0.355 . . . . 73.540000000000006 110.665 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.457 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 89.4 m-85 -132.96 157.3 45.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.335 -0.393 . . . . 74.109999999999999 110.678 178.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.26 83.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 71.409999999999997 111.411 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -120.14 154.13 35.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.198 -0.455 . . . . 35.439999999999998 110.064 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.727 ' HA ' HG21 ' A' ' 76' ' ' VAL . 69.5 ttt-85 -58.87 -35.28 72.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.348 0.594 . . . . 74.030000000000001 110.356 175.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.55 -38.27 86.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.349 -0.841 . . . . 71.200000000000003 111.543 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.457 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 30.6 mm-40 -55.33 -33.03 62.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.188 -0.915 . . . . 64.030000000000001 110.771 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.501 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -76.26 -43.35 42.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.663 -0.698 . . . . 64.340000000000003 110.353 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -58.88 -47.86 83.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.736 -0.666 . . . . 72.120000000000005 110.38 178.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -64.15 -30.59 71.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.582 -0.735 . . . . 64.049999999999997 111.37 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.549 ' O ' HD23 ' A' ' 49' ' ' LEU . 38.1 t80 -75.96 -37.32 58.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.991 0.424 . . . . 72.420000000000002 110.233 -177.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.422 ' HE1' ' HB2' ' A' ' 80' ' ' ALA . 42.6 tpp -64.54 -26.24 68.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.063 -0.517 . . . . 71.109999999999999 111.107 -179.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.45 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 6.4 m -59.56 -48.54 81.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.392 -0.367 . . . . 70.430000000000007 111.642 -177.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -72.83 -28.35 62.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.83 0.348 . . . . 74.409999999999997 110.887 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 45' ' ' PHE . 3.7 mm? -62.56 -39.43 93.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.039 -0.528 . . . . 74.349999999999994 110.672 176.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.45 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 42.0 mttt -59.34 -47.65 84.62 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.403 -0.362 . . . . 73.010000000000005 111.305 177.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -59.51 -45.81 90.66 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.189 -0.46 . . . . 63.329999999999998 110.948 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.515 HD13 HD23 ' A' ' 97' ' ' LEU . 98.6 mt -64.73 -40.12 94.8 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.542 -0.754 . . . . 74.409999999999997 111.193 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.12 93.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.712 0.291 . . . . 71.140000000000001 110.99 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.28 -30.75 71.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 53.130000000000003 111.336 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.69 -28.73 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.424 -0.353 . . . . 71.129999999999995 111.245 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.27 -43.04 22.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 52.100000000000001 111.889 -177.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 p -72.89 130.66 40.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.223 0.535 . . . . 60.210000000000001 110.844 -177.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.3 m -106.98 18.63 21.55 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.486 0.66 . . . . 72.430000000000007 110.089 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.27 8.67 15.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.398 -0.819 . . . . 52.200000000000003 111.631 -177.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 70.13 -71.58 0.12 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.489 0.716 . . . . 61.0 112.59 174.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.41 -34.61 78.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.889 0.376 . . . . 75.409999999999997 111.011 -176.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.0 -152.65 24.78 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.879 -0.677 . . . . 55.399999999999999 111.797 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.96 157.36 43.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.824 -0.435 . . . . 54.140000000000001 109.824 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.936 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 66.7 m -73.83 106.81 5.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.457 -0.338 . . . . 63.149999999999999 110.464 178.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.495 HG22 ' HD2' ' A' ' 67' ' ' TYR . 4.0 p -116.0 115.72 50.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 121.402 0.62 . . . . 70.109999999999999 110.847 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.559 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . . . -100.09 96.74 7.71 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.775 -0.648 . . . . 61.219999999999999 109.673 175.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.495 ' HD2' HG22 ' A' ' 65' ' ' VAL . 4.9 p90 -99.34 120.08 38.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.213 0.53 . . . . 74.209999999999994 111.13 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -128.14 148.47 50.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.69 -0.686 . . . . 74.420000000000002 110.593 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.503 HG12 HD23 ' A' ' 78' ' ' LEU . 60.2 mt -131.9 105.39 9.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.109 -0.95 . . . . 55.25 109.103 177.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -86.79 115.99 24.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.605 0.717 . . . . 75.519999999999996 110.495 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.643 ' HA ' HG12 ' A' ' 76' ' ' VAL . 7.0 p-10 -80.11 105.36 11.33 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.265 -1.334 . . . . 72.530000000000001 110.119 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 72.4 mt -107.32 -174.53 2.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.72 -0.673 . . . . 73.510000000000005 110.182 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -87.87 104.78 16.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.997 0.427 . . . . 53.539999999999999 110.779 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.79 -17.75 58.72 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.914 -0.66 . . . . 74.219999999999999 112.643 175.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 14.2 pt20 -158.69 172.0 19.06 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.148 -0.316 . . . . 70.109999999999999 110.148 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.727 HG21 ' HA ' ' A' ' 39' ' ' ARG . 27.1 m -134.81 164.11 34.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.806 0.336 . . . . 73.230000000000004 110.872 178.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -116.9 117.2 29.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.925 -0.58 . . . . 72.540000000000006 110.11 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.503 HD23 HG12 ' A' ' 69' ' ' ILE . 3.2 tm? -89.13 113.67 24.86 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.191 -1.04 . . . . 52.43 108.191 174.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -126.96 119.57 27.02 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.764 -0.653 . . . . 73.200000000000003 110.409 -174.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 66' ' ' ALA . . . -130.32 133.15 46.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.18 0.514 . . . . 53.399999999999999 111.462 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.559 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . . . -109.0 108.16 18.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.567 -0.742 . . . . 50.520000000000003 110.063 174.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -97.9 112.78 24.57 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.392 -0.367 . . . . 71.230000000000004 110.193 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.936 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 11.7 m -102.85 105.83 16.29 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.106 -0.497 . . . . 74.219999999999999 110.261 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -95.46 -168.57 1.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.23 -0.441 . . . . 73.230000000000004 110.418 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.8 m -99.49 -43.58 6.48 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.328 -0.619 . . . . 61.020000000000003 109.328 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 34.2 m -116.65 148.65 40.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.21 -0.905 . . . . 64.439999999999998 110.108 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.569 ' O ' HG12 ' A' ' 91' ' ' ILE . 27.1 tt0 -61.07 -31.23 70.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.25 -0.432 . . . . 75.219999999999999 110.47 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.539 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -52.78 -46.33 67.53 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.891 -0.595 . . . . 32.5 110.861 176.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.99 -35.93 82.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.349 -0.387 . . . . 65.010000000000005 110.569 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.835 ' HG3' ' HB2' ' A' ' 30' ' ' SER . 20.6 ttt -64.11 -57.86 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.828 -0.624 . . . . 72.319999999999993 110.823 178.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 87' ' ' GLN . 19.2 pt -65.37 -39.6 85.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.407 0.521 . . . . 73.319999999999993 112.407 -174.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 88' ' ' ALA . 40.1 pt -65.36 -30.99 51.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 120.747 -0.381 . . . . 75.0 110.479 179.219 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.548 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 75.1 t80 -67.89 -51.6 46.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.961 -0.563 . . . . 70.099999999999994 110.889 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.464 ' HA ' HD12 ' A' ' 97' ' ' LEU . 7.1 pt-20 -73.83 -27.61 61.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.588 -0.278 . . . . 71.329999999999998 111.711 -176.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 80.5 mt -68.99 -42.27 76.72 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.9 -0.407 . . . . 71.099999999999994 109.9 173.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.6 t -60.82 -36.78 79.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.009 -0.542 . . . . 73.439999999999998 110.6 176.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 94.1 mt -53.73 -48.94 69.14 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.959 0.409 . . . . 70.5 110.599 176.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -65.89 -39.3 90.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.772 -0.649 . . . . 73.409999999999997 110.974 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.8 t -64.68 -42.54 95.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 52.030000000000001 110.827 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.4 tp -71.16 -35.41 71.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.335 -0.393 . . . . 74.310000000000002 110.69 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.95 -26.1 68.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 74.150000000000006 110.988 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.844 HD22 ' HA ' ' A' ' 106' ' ' HIS . 4.2 pp -107.44 -8.93 16.1 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.783 -0.367 . . . . 63.329999999999998 111.211 -178.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 69.33 -65.93 0.28 Allowed 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.908 0.755 . . . . 74.530000000000001 111.479 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.576 ' O ' ' HB2' ' A' ' 105' ' ' HIS . 38.2 t-80 -164.77 137.76 4.76 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.862 -0.792 . . . . 75.230000000000004 108.862 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.576 ' HB2' ' O ' ' A' ' 104' ' ' HIS . 15.5 m80 77.56 117.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.944 0.777 . . . . 71.439999999999998 110.08 -171.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.844 ' HA ' HD22 ' A' ' 102' ' ' LEU . 23.9 t-80 -61.7 109.6 1.26 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.476 -0.784 . . . . 75.329999999999998 111.454 -172.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -98.57 107.04 19.4 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.041 -0.726 . . . . 75.299999999999997 109.041 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -69.53 -51.21 37.77 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.858 0.318 . . . . 64.519999999999996 111.858 -174.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.375 -0.822 . . . . 51.219999999999999 110.58 -178.89 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 120.714 0.293 . . . . 73.019999999999996 110.504 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.79 125.4 29.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.216 -0.447 . . . . 70.239999999999995 110.574 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.0 ptm -143.52 156.22 44.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.076 -0.511 . . . . 65.109999999999999 110.22 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -149.23 116.38 6.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.905 0.383 . . . . 75.5 110.901 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -131.56 105.06 7.31 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.104 -0.498 . . . . 74.239999999999995 109.857 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.4 m -107.56 138.82 31.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.18 -0.464 . . . . 63.130000000000003 110.317 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.2 t -109.31 84.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.642 -0.503 . . . . 63.420000000000002 109.642 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -146.78 108.01 4.23 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-O 121.568 0.699 . . . . 52.32 111.598 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -148.88 86.3 1.51 Allowed 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.03 -1.441 . . . . 74.450000000000003 108.825 173.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 p -75.68 141.77 42.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.732 -0.667 . . . . 63.509999999999998 111.488 -174.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.7 m -96.95 101.85 13.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.081 -0.509 . . . . 34.329999999999998 110.127 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 11.7 p -113.87 -165.66 1.02 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.354 -0.385 . . . . 40.420000000000002 110.778 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 12' ' ' THR . 12.7 mptt 73.03 143.66 0.07 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.526 0.679 . . . . 71.510000000000005 111.645 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 148.7 101.0 0.24 Allowed Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.639 -0.71 . . . . 52.039999999999999 111.695 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 68.1 m -131.76 153.4 50.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.972 0.415 . . . . 61.329999999999998 111.49 -176.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -150.22 83.92 1.38 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.726 -0.67 . . . . 61.200000000000003 109.419 174.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.4 pt -141.5 -173.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 52.439999999999998 111.107 -175.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.7 t70 73.42 133.17 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 O-C-N 124.515 1.134 . . . . 73.439999999999998 111.419 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.6 mt -103.74 11.13 8.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.963 -0.562 . . . . 74.349999999999994 110.496 -175.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.93 -70.82 2.99 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.937 -0.865 . . . . 71.299999999999997 110.937 -173.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.787 ' HA ' HD11 ' A' ' 95' ' ' LEU . 26.1 m 75.13 117.96 0.05 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.678 0.751 . . . . 71.400000000000006 112.874 173.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.5 m -123.25 -173.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.966 -1.015 . . . . 53.210000000000001 109.296 174.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 84.6 mt 70.48 117.63 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 121.46 0.648 . . . . 43.340000000000003 111.35 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -84.29 104.72 14.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.85 -0.614 . . . . 75.230000000000004 110.865 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -71.51 136.24 47.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.202 -0.453 . . . . 72.129999999999995 109.889 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -84.09 -7.94 59.24 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.267 0.469 . . . . 71.450000000000003 112.267 -174.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.37 167.85 21.91 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.878 -0.329 . . . . 73.430000000000007 110.458 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 75.4 m -102.6 14.75 31.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.994 0.426 . . . . 74.439999999999998 111.572 -177.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.9 m -106.44 131.21 53.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.292 -0.413 . . . . 71.510000000000005 110.219 176.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 24.8 t -97.98 116.23 29.78 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.655 -0.498 . . . . 72.439999999999998 109.655 178.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.58 113.17 25.42 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.668 -0.493 . . . . 74.129999999999995 109.668 177.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.462 ' HE2' ' HE2' ' A' ' 45' ' ' PHE . 65.1 t80 -121.28 118.63 30.03 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.026 -0.534 . . . . 74.239999999999995 110.197 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -122.95 131.14 53.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.966 -0.561 . . . . 53.539999999999999 110.478 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HD2' HH11 ' A' ' 34' ' ' ARG . 7.9 mmt85 -137.59 154.59 49.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.299 -0.41 . . . . 73.319999999999993 111.619 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -107.27 135.05 49.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.165 -0.471 . . . . 72.209999999999994 110.011 176.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -132.68 168.25 18.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.313 -0.403 . . . . 50.100000000000001 110.498 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.89 -56.82 7.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.072 0.463 . . . . 51.020000000000003 111.031 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.551 ' OG1' ' HG2' ' A' ' 41' ' ' GLU . 79.6 p -124.3 166.43 15.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.044 -0.525 . . . . 53.329999999999998 110.434 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.753 ' HG3' HG21 ' A' ' 69' ' ' ILE . 26.5 ttt85 -64.32 -29.41 70.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.118 0.485 . . . . 73.310000000000002 109.913 177.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -58.74 -47.45 84.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.341 -0.845 . . . . 74.420000000000002 110.546 175.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.551 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 42.2 mm-40 -60.03 -29.31 68.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.041 -0.981 . . . . 73.140000000000001 110.948 178.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.95 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.851 -0.613 . . . . 71.540000000000006 110.767 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -63.57 -34.58 78.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 72.409999999999997 110.2 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.1 t -59.77 -38.81 82.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.498 -0.773 . . . . 74.450000000000003 110.499 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.462 ' HE2' ' HE2' ' A' ' 32' ' ' PHE . 5.9 t80 -80.04 -28.97 39.22 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.954 0.407 . . . . 74.129999999999995 110.14 -176.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 42.6 tpp -68.19 -30.45 69.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 71.25 110.191 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -62.71 -47.54 83.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 60.539999999999999 110.723 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.0 ptmt -73.36 -28.16 61.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.521 -0.309 . . . . 75.519999999999996 111.06 178.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -39.11 88.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.75 0.309 . . . . 70.140000000000001 110.188 176.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -60.16 -40.98 91.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 70.0 110.996 174.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -64.72 -44.49 90.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 73.219999999999999 110.384 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 96.8 mt -61.49 -42.51 98.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 73.030000000000001 110.686 178.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.26 96.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 55.520000000000003 111.034 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.57 98.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 72.5 111.12 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.67 77.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.516 . . . . 70.319999999999993 111.154 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.16 -51.97 18.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.002 -0.544 . . . . 53.200000000000003 111.466 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.8 p -63.83 131.49 47.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.703 0.764 . . . . 72.150000000000006 111.326 -175.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.0 m -121.81 -9.7 8.79 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.171 -0.922 . . . . 53.450000000000003 109.205 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.55 ' CB ' ' HB2' ' A' ' 85' ' ' SER . . . -64.84 -59.97 3.61 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.903 -1.044 . . . . 72.329999999999998 112.301 -177.309 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -137.4 -87.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.483 -0.487 . . . . 74.120000000000005 112.158 -175.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -127.96 -23.16 3.39 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.564 0.697 . . . . 74.420000000000002 109.352 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 179.03 -139.93 4.18 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.174 -0.921 . . . . 62.450000000000003 112.146 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -145.13 160.52 41.3 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.373 -0.232 . . . . 75.150000000000006 110.373 -176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.583 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 49.0 m -69.94 108.78 4.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.254 -0.43 . . . . 61.5 110.016 176.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.502 HG22 ' HD1' ' A' ' 67' ' ' TYR . 3.9 p -100.8 115.95 43.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.542 0.687 . . . . 73.099999999999994 111.299 -177.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.05 105.93 11.92 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.478 -0.783 . . . . 52.43 109.146 173.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.502 ' HD1' HG22 ' A' ' 65' ' ' VAL . 42.3 p90 -132.19 159.26 39.5 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.328 -0.397 . . . . 71.349999999999994 111.067 -174.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.436 ' CD ' ' HB3' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -134.86 148.58 50.16 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.156 0.503 . . . . 73.140000000000001 109.798 170.425 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.753 HG21 ' HG3' ' A' ' 39' ' ' ARG . 45.4 mt -112.09 104.75 17.55 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 108.165 -1.05 . . . . 64.239999999999995 108.165 173.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -92.5 120.2 32.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.255 0.55 . . . . 73.319999999999993 110.781 -175.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.567 ' HA ' HG12 ' A' ' 76' ' ' VAL . 12.5 m-20 -77.82 94.25 4.48 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.833 -1.076 . . . . 72.319999999999993 108.622 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 95.9 mt -88.3 -167.41 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.232 0.539 . . . . 73.420000000000002 111.007 -174.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -93.89 97.02 10.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.695 -0.684 . . . . 71.519999999999996 110.725 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.58 -6.28 77.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.979 -0.629 . . . . 50.32 112.409 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.432 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 9.7 pt20 -160.71 -178.36 6.81 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.104 -0.702 . . . . 73.400000000000006 109.104 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.567 HG12 ' HA ' ' A' ' 71' ' ' ASP . 35.7 m -133.49 157.18 42.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.636 0.255 . . . . 74.349999999999994 110.755 176.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' HB2' HD11 ' A' ' 72' ' ' LEU . 43.0 tt0 -112.58 119.98 40.0 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.171 -0.468 . . . . 73.329999999999998 109.948 175.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.565 HD23 HG12 ' A' ' 69' ' ' ILE . 3.4 tm? -98.56 111.94 24.14 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.192 -1.04 . . . . 71.209999999999994 108.192 175.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.436 ' HB3' ' CD ' ' A' ' 68' ' ' LYS . 21.5 t70 -125.78 114.52 18.71 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.331 -0.395 . . . . 70.010000000000005 110.338 -176.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.58 127.02 47.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.171 -0.468 . . . . 31.210000000000001 111.538 -176.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 30' ' ' SER . . . -109.3 110.99 22.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.897 -0.592 . . . . 53.329999999999998 110.21 174.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -101.1 112.89 25.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.159 -0.473 . . . . 73.450000000000003 110.864 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.583 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 72.1 m -92.49 104.75 17.03 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.917 -0.401 . . . . 64.319999999999993 109.917 174.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -78.8 172.25 14.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.98 -0.554 . . . . 74.409999999999997 110.95 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.55 ' HB2' ' CB ' ' A' ' 59' ' ' ALA . 16.9 m -102.34 -19.41 15.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.131 0.491 . . . . 64.450000000000003 110.029 -176.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.606 ' HB3' ' HG2' ' A' ' 89' ' ' GLU . 42.7 t -123.43 151.58 42.51 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.652 -0.704 . . . . 31.449999999999999 109.19 173.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.65 ' O ' HG12 ' A' ' 91' ' ' ILE . 27.3 tt0 -74.36 -32.84 62.92 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.621 -0.431 . . . . 74.310000000000002 110.517 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.51 -48.3 81.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.286 -0.415 . . . . 64.430000000000007 111.178 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.606 ' HG2' ' HB3' ' A' ' 86' ' ' CYS . 15.0 pt-20 -64.93 -27.3 68.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 62.119999999999997 111.223 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.669 ' HE3' HG23 ' A' ' 91' ' ' ILE . 14.3 tmm? -75.64 -48.38 22.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.282 -0.417 . . . . 72.319999999999993 111.015 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.669 HG23 ' HE3' ' A' ' 90' ' ' MET . 7.2 pt -69.22 -34.52 63.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 112.086 0.402 . . . . 54.310000000000002 112.086 -176.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 pp -71.29 -29.91 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.708 -0.397 . . . . 65.019999999999996 110.214 176.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.689 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 72.6 t80 -64.52 -43.18 94.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.542 . . . . 72.409999999999997 109.597 175.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.427 ' O ' ' HD3' ' A' ' 98' ' ' ARG . 56.2 mm-40 -54.97 -44.59 74.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.466 -0.788 . . . . 72.329999999999998 110.885 177.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.787 HD11 ' HA ' ' A' ' 21' ' ' THR . 67.9 mt -70.42 -47.74 59.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.196 -0.456 . . . . 73.109999999999999 111.103 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.5 m -54.4 -39.35 67.19 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.264 -0.426 . . . . 64.319999999999993 111.483 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 85.6 mt -57.57 -51.58 68.88 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.065 0.459 . . . . 73.040000000000006 111.546 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.498 ' O ' ' HB3' ' A' ' 102' ' ' LEU . 5.9 mpt_? -77.24 -30.94 54.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.919 -0.582 . . . . 73.209999999999994 111.383 -172.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.2 m -83.18 -0.36 48.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.338 -0.392 . . . . 60.119999999999997 111.354 -177.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.1 tp -115.6 -59.5 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.866 0.365 . . . . 74.239999999999995 111.264 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -96.93 26.22 4.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.148 -0.478 . . . . 55.130000000000003 111.374 -173.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 103' ' ' GLU . 2.6 pp -56.12 -40.38 73.66 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 112.092 0.404 . . . . 74.329999999999998 112.092 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.589 ' N ' HD12 ' A' ' 102' ' ' LEU . 0.0 OUTLIER 59.18 -174.47 0.1 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.364 0.415 . . . . 52.229999999999997 110.86 179.056 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 53.0 m80 72.09 -71.83 0.13 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.032 0.533 . . . . 73.010000000000005 111.006 174.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 179.0 -22.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.735 -0.666 . . . . 72.209999999999994 109.217 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -169.85 173.33 6.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.416 -0.811 . . . . 74.030000000000001 109.323 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 102' ' ' LEU . 6.9 p80 -114.72 134.22 55.27 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.769 -0.372 . . . . 73.0 110.125 177.015 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -81.37 -40.74 23.03 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.707 -0.849 . . . . 71.329999999999998 108.707 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 21.3 p80 . . . . . 0 C--O 1.243 0.75 0 CA-C-N 114.975 -1.012 . . . . 64.140000000000001 108.736 171.893 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.835 0.35 . . . . 71.549999999999997 110.252 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.01 108.45 3.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.029 0.442 . . . . 74.109999999999999 110.557 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.56 130.61 49.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.169 0.509 . . . . 63.420000000000002 110.454 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -108.59 97.55 7.19 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.96 -0.564 . . . . 73.109999999999999 109.679 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -117.01 157.48 25.74 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.716 -0.675 . . . . 73.25 110.647 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.7 p -161.51 113.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.374 0.607 . . . . 73.109999999999999 110.203 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.1 t -105.91 94.67 3.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.975 -0.557 . . . . 71.310000000000002 111.187 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -125.49 103.04 7.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 74.099999999999994 109.625 175.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -161.42 139.27 9.18 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.356 -0.384 . . . . 73.030000000000001 110.139 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.0 t -157.95 159.6 36.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.222 -0.445 . . . . 53.409999999999997 109.963 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.1 t -151.77 143.9 23.93 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.992 -0.744 . . . . 43.530000000000001 108.992 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 t -159.36 87.9 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.719 0.771 . . . . 65.530000000000001 111.614 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -152.34 128.4 10.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.176 -0.92 . . . . 74.219999999999999 110.118 173.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.12 53.11 0.1 OUTLIER Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.9 -0.667 . . . . 53.210000000000001 112.049 -177.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -88.31 37.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.99 0.424 . . . . 70.310000000000002 110.425 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.79 136.65 57.97 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.881 -0.6 . . . . 72.329999999999998 110.81 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 pp -105.93 160.18 5.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.932 -0.577 . . . . 75.329999999999998 111.834 -177.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -153.78 143.78 22.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.407 -0.815 . . . . 65.040000000000006 109.644 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.917 ' HB ' HD22 ' A' ' 95' ' ' LEU . 46.1 mm -75.19 -28.16 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.303 0.573 . . . . 75.450000000000003 109.837 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.52 65.85 0.97 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.753 -0.736 . . . . 44.240000000000002 112.237 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.703 ' HB ' HD21 ' A' ' 95' ' ' LEU . 37.5 m -151.56 85.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.681 0.753 . . . . 75.230000000000004 110.888 176.307 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 t -136.94 95.95 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 114.792 -1.095 . . . . 74.510000000000005 108.149 174.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.599 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.1 mp -67.76 -68.86 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.227 -0.442 . . . . 73.319999999999993 110.862 -172.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -164.21 -86.23 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.876 -0.787 . . . . 73.329999999999998 108.876 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -129.19 118.91 23.16 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.618 -1.252 . . . . 75.099999999999994 107.618 169.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.44 ' OD2' ' HB ' ' A' ' 23' ' ' ILE . 14.6 m-20 -130.88 32.13 4.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.15 -0.477 . . . . 45.310000000000002 111.042 -169.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 70.43 174.91 0.29 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.666 -0.697 . . . . 70.239999999999995 111.267 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.9 p -107.55 -6.06 17.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.769 -0.65 . . . . 54.130000000000003 109.84 175.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.2 m -92.48 117.34 29.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.627 -0.715 . . . . 52.149999999999999 110.175 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.658 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 23.2 t -98.27 116.2 30.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.543 -0.54 . . . . 71.400000000000006 109.543 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.774 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -104.72 160.35 15.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.055 -0.52 . . . . 71.150000000000006 110.2 -178.86 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -154.26 118.87 4.89 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.63 -0.714 . . . . 64.420000000000002 110.202 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.665 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 3.9 p -134.97 106.94 7.06 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.296 0.57 . . . . 63.020000000000003 110.629 175.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -127.2 143.98 51.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.564 -0.744 . . . . 74.329999999999998 110.039 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.47 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 98.3 m-85 -87.38 133.87 33.66 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.054 -0.521 . . . . 73.430000000000007 109.726 175.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.73 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 96.6 m-85 -117.7 161.65 19.33 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.877 -0.601 . . . . 74.329999999999998 110.085 -179.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.71 -43.18 98.13 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.362 0.413 . . . . 52.32 111.089 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.39 166.54 24.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.515 -0.55 . . . . 74.530000000000001 109.515 178.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.75 ' HA ' HG21 ' A' ' 76' ' ' VAL . 19.0 ttt180 -61.43 -29.34 69.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.676 0.274 . . . . 52.219999999999999 110.76 -179.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.62 -50.51 65.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.403 0.62 . . . . 64.409999999999997 110.528 174.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.73 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 42.4 mm-40 -57.37 -33.03 67.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.792 -1.095 . . . . 74.420000000000002 110.575 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.09 -52.16 10.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.731 -0.668 . . . . 44.520000000000003 111.315 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.694 ' HG2' HD13 ' A' ' 69' ' ' ILE . 43.5 mt-10 -63.26 -36.12 82.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 71.430000000000007 111.096 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 t -66.48 -32.22 73.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.162 -0.472 . . . . 53.130000000000003 110.305 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.535 ' O ' HD23 ' A' ' 49' ' ' LEU . 4.0 t80 -76.18 -30.09 57.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.756 -0.461 . . . . 72.400000000000006 109.756 -177.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 31.1 tpp -62.8 -37.04 85.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.081 0.467 . . . . 71.25 110.699 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.565 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 27.3 m -60.17 -49.11 78.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.89 -0.595 . . . . 62.210000000000001 111.213 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -71.13 -27.17 63.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.893 0.378 . . . . 74.019999999999996 111.089 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -62.67 -37.57 86.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 74.109999999999999 110.432 173.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.565 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 46.2 mttt -63.9 -40.81 97.38 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.728 -0.214 . . . . 33.340000000000003 110.686 175.227 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -57.57 -51.26 70.2 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.511 0.672 . . . . 71.340000000000003 109.854 175.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.73 -44.95 94.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.153 -0.93 . . . . 63.140000000000001 111.477 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.11 83.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.456 -0.338 . . . . 55.219999999999999 111.457 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.84 -35.7 80.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.25 111.517 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.9 -28.41 25.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.526 -0.306 . . . . 70.040000000000006 111.667 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.44 -26.26 32.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.956 0.354 . . . . 54.229999999999997 111.956 -176.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.1 p -89.83 133.69 34.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.465 0.65 . . . . 71.239999999999995 111.757 -174.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.6 m -83.45 6.23 20.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.284 -0.871 . . . . 71.030000000000001 110.697 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.81 2.01 40.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.808 -0.633 . . . . 73.400000000000006 110.888 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.2 t70 73.66 -64.1 0.41 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.901 0.751 . . . . 73.140000000000001 112.063 175.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.29 -32.57 68.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.907 0.384 . . . . 61.020000000000003 110.985 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.59 -132.16 4.81 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.648 -0.787 . . . . 64.010000000000005 111.864 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.9 168.57 24.1 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.049 -0.352 . . . . 52.229999999999997 110.049 -178.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.472 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 15.3 m -71.57 109.98 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.927 -0.397 . . . . 65.349999999999994 109.927 177.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 p -104.84 119.37 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.533 0.682 . . . . 70.049999999999997 111.487 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.82 130.2 50.93 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.114 -0.948 . . . . 42.149999999999999 108.456 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -146.44 154.47 41.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.375 0.607 . . . . 71.319999999999993 112.049 -173.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -124.29 142.3 51.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.908 -1.042 . . . . 75.010000000000005 110.043 175.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.694 HD13 ' HG2' ' A' ' 43' ' ' GLU . 45.6 mt -119.15 104.27 15.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 N-CA-C 108.039 -1.097 . . . . 64.5 108.039 174.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.756 ' HB3' ' HG2' ' A' ' 77' ' ' GLU . 40.8 tttm -115.29 110.11 18.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.881 0.848 . . . . 74.420000000000002 111.177 -168.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.799 ' HA ' HG12 ' A' ' 76' ' ' VAL . 4.3 m-20 -75.88 131.63 39.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 113.838 -1.528 . . . . 74.340000000000003 110.961 -175.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.4 mt -123.06 -170.6 2.14 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.088 -0.708 . . . . 53.340000000000003 109.088 173.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -95.82 101.3 12.97 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.873 -0.331 . . . . 54.229999999999997 110.47 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.94 0.09 68.92 Favored Glycine 0 C--O 1.235 0.187 0 C-N-CA 121.112 -0.566 . . . . 61.439999999999998 112.086 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -162.51 169.71 19.86 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.238 -0.653 . . . . 62.140000000000001 109.238 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.799 HG12 ' HA ' ' A' ' 71' ' ' ASP . 28.6 m -144.71 153.39 14.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 109.419 -0.585 . . . . 74.319999999999993 109.419 176.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.756 ' HG2' ' HB3' ' A' ' 70' ' ' LYS . 12.5 pt-20 -108.0 128.4 54.62 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.598 0.713 . . . . 72.430000000000007 110.302 174.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.665 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.1 tm? -102.98 111.13 23.32 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 108.049 -1.093 . . . . 74.450000000000003 108.049 174.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -118.29 108.81 15.56 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.018 -0.537 . . . . 71.209999999999994 110.13 -173.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.77 155.76 37.33 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.978 0.418 . . . . 52.310000000000002 111.384 -177.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -139.88 114.17 9.1 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.466 -0.788 . . . . 70.5 109.546 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -105.6 112.55 25.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.116 -0.493 . . . . 75.019999999999996 110.35 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.472 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 5.4 m -88.22 107.2 18.67 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.729 0.3 . . . . 64.409999999999997 110.268 179.072 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.441 ' HE2' ' HB3' ' A' ' 30' ' ' SER . 98.5 m-85 -91.97 165.73 13.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 71.420000000000002 110.582 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.9 m -79.55 -29.22 41.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.264 -0.426 . . . . 65.129999999999995 111.276 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.411 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 56.1 m -124.34 164.74 19.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.275 -0.42 . . . . 71.120000000000005 110.24 -178.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -80.52 -32.47 36.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.525 -0.307 . . . . 74.519999999999996 111.132 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.511 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.86 -38.18 69.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 110.92 178.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -62.16 -34.07 75.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.885 -0.598 . . . . 75.150000000000006 110.386 -179.516 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.658 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 11.5 tmm? -70.21 -50.76 36.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 74.109999999999999 110.262 -177.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.615 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.6 pt -67.19 -41.23 86.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.317 -0.401 . . . . 72.409999999999997 111.844 -177.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 88' ' ' ALA . 40.9 pt -66.63 -30.39 49.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 120.77 -0.372 . . . . 74.099999999999994 110.573 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.686 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 19.5 t80 -63.43 -48.45 77.71 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.387 -0.597 . . . . 70.120000000000005 109.387 176.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.461 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 58.0 mm-40 -55.47 -38.42 69.07 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.574 -0.739 . . . . 60.329999999999998 111.053 175.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.917 HD22 ' HB ' ' A' ' 19' ' ' ILE . 78.5 mt -66.16 -53.73 33.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.882 -0.599 . . . . 73.219999999999999 110.602 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.6 p -59.19 -37.53 77.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 72.219999999999999 112.21 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 80.8 mt -60.09 -49.09 79.0 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.121 0.486 . . . . 74.329999999999998 110.514 178.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.461 ' NH1' ' HB3' ' A' ' 94' ' ' GLU . 76.4 mtt85 -69.1 -33.36 73.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.477 -0.783 . . . . 73.319999999999993 111.22 -178.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.467 ' O ' HD23 ' A' ' 102' ' ' LEU . 22.9 m -77.36 -34.85 54.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.933 -0.576 . . . . 62.109999999999999 111.718 -175.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 34.1 tp -79.0 -41.88 27.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.917 0.389 . . . . 74.540000000000006 110.974 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.47 33.19 1.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.124 -0.489 . . . . 72.530000000000001 110.475 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 99' ' ' SER . 4.6 pp -59.91 -19.52 52.07 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.657 -0.701 . . . . 72.400000000000006 112.772 -175.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.05 39.25 0.37 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.491 0.552 . . . . 74.349999999999994 112.491 -174.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -117.87 132.62 56.4 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.406 -0.59 . . . . 72.219999999999999 109.406 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -79.54 141.56 36.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.008 0.433 . . . . 74.310000000000002 110.792 -176.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -77.36 -9.51 58.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.986 -0.552 . . . . 73.120000000000005 110.876 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -86.78 7.94 24.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.361 0.601 . . . . 74.439999999999998 110.156 174.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -131.02 148.57 52.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.46 -0.791 . . . . 74.299999999999997 109.249 177.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.186 -0.911 . . . . 74.019999999999996 110.075 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 120.815 0.34 . . . . 70.400000000000006 110.316 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.72 -46.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.71 -0.677 . . . . 75.230000000000004 109.602 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -78.51 115.94 18.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.377 -0.829 . . . . 62.039999999999999 109.981 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -150.93 95.09 2.15 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.658 -0.497 . . . . 73.120000000000005 109.658 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -138.73 122.3 17.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.145 -0.48 . . . . 73.319999999999993 110.204 -174.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.7 m -107.33 74.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.825 0.821 . . . . 73.129999999999995 110.613 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 p -97.98 121.85 48.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.49 -0.777 . . . . 54.43 110.897 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -101.98 154.76 18.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.111 -0.495 . . . . 52.32 109.887 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.49 ' HD2' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -152.01 120.2 6.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.12 -0.491 . . . . 72.420000000000002 111.192 -175.883 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.7 p -169.62 32.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.976 -0.556 . . . . 61.520000000000003 111.165 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.4 m -80.14 86.03 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.365 -0.38 . . . . 73.140000000000001 110.408 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.6 m -152.33 100.74 2.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.292 -0.413 . . . . 74.129999999999995 110.942 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -164.99 133.29 3.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 72.25 110.181 176.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.3 116.94 2.58 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.652 -0.785 . . . . 62.509999999999998 112.573 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -146.99 76.85 1.44 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.448 -0.575 . . . . 65.329999999999998 109.448 175.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -134.89 94.95 3.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.921 -0.581 . . . . 42.149999999999999 110.515 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.5 pt -134.11 166.92 27.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.824 -0.626 . . . . 73.519999999999996 110.226 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -100.75 152.28 20.67 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.254 -0.647 . . . . 72.519999999999996 109.254 174.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.0 pt -87.55 92.14 3.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-O 121.595 0.712 . . . . 70.319999999999993 110.442 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -118.96 37.78 3.08 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.203 -0.908 . . . . 24.300000000000001 112.127 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.8 m -74.64 90.86 2.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.224 0.535 . . . . 64.150000000000006 109.905 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.9 m -84.67 169.67 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.471 -0.786 . . . . 62.030000000000001 110.977 -177.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.2 mm -115.6 -85.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.626 -0.509 . . . . 73.299999999999997 109.626 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -149.59 -93.96 0.07 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.888 0.375 . . . . 63.119999999999997 110.284 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 175.31 144.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.401 -0.818 . . . . 61.140000000000001 109.02 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -173.19 -78.32 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.123 0.487 . . . . 73.450000000000003 110.308 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -131.85 169.07 16.77 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.61 -0.723 . . . . 74.120000000000005 109.621 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 m -112.55 13.91 20.11 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.202 0.525 . . . . 51.140000000000001 110.554 -175.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 83' ' ' THR . 41.6 m -95.1 128.81 42.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.728 -0.669 . . . . 74.5 110.408 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.673 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 9.2 t -97.61 104.3 16.32 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.277 -0.638 . . . . 62.439999999999998 109.277 177.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -97.69 119.93 37.15 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.582 -0.735 . . . . 72.25 110.543 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -126.83 119.51 27.0 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.123 -0.49 . . . . 60.140000000000001 109.819 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 t -126.19 113.57 17.19 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.857 -0.611 . . . . 61.100000000000001 109.771 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -138.69 150.67 46.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.414 -0.357 . . . . 60.109999999999999 110.138 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -105.14 129.59 53.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.771 0.32 . . . . 74.349999999999994 110.599 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -120.16 171.12 8.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.889 -0.596 . . . . 71.349999999999994 110.677 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.39 -54.77 23.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.395 . . . . 65.230000000000004 111.426 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.535 ' OG1' ' HG2' ' A' ' 41' ' ' GLU . 62.5 p -128.3 165.94 19.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.987 0.422 . . . . 74.109999999999999 111.264 -178.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.537 ' HG3' HG21 ' A' ' 69' ' ' ILE . 28.1 ttt-85 -63.03 -28.09 69.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.564 -0.744 . . . . 73.299999999999997 109.716 178.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.67 -50.15 73.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.197 -0.911 . . . . 53.25 110.337 175.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.535 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 14.1 mm-40 -59.93 -28.52 67.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.108 -0.951 . . . . 64.409999999999997 110.999 -178.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.455 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -71.67 -52.05 19.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.643 -0.708 . . . . 44.409999999999997 111.179 -177.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.02 -33.12 73.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.868 0.366 . . . . 73.200000000000003 110.693 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.9 m -67.56 -27.77 67.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 74.310000000000002 111.034 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.546 ' O ' HD23 ' A' ' 49' ' ' LEU . 88.7 t80 -69.92 -35.69 74.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.129 0.49 . . . . 65.150000000000006 110.172 178.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 38.1 ttm -72.35 -18.9 61.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.003 -0.544 . . . . 73.120000000000005 111.245 -177.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 m -56.67 -49.16 75.9 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 120.913 0.387 . . . . 72.420000000000002 111.109 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -73.51 -29.75 62.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.092 0.472 . . . . 63.140000000000001 110.82 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.0 mm? -66.51 -40.79 89.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.922 -0.581 . . . . 71.040000000000006 110.591 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -38.63 84.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 62.299999999999997 111.314 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.59 -45.73 91.55 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.44 0.638 . . . . 72.450000000000003 110.069 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -68.79 -42.0 77.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.146 -0.933 . . . . 74.120000000000005 111.268 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.67 75.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.384 -0.371 . . . . 72.420000000000002 111.635 -178.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.23 -36.15 81.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 64.319999999999993 111.147 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.67 -33.55 21.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.949 0.404 . . . . 73.109999999999999 111.163 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.36 -27.43 67.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.823 -0.626 . . . . 51.5 112.122 -176.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.6 ' HB3' ' CD1' ' A' ' 84' ' ' PHE . 48.7 p -115.74 139.81 49.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.751 0.31 . . . . 72.510000000000005 110.914 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.9 m -92.14 64.14 4.48 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.211 0.529 . . . . 71.140000000000001 109.819 174.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.74 -23.92 4.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.746 -0.661 . . . . 71.030000000000001 110.934 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 74.26 -62.71 0.45 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.583 0.753 . . . . 70.010000000000005 111.572 177.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -94.51 19.67 9.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.994 -0.548 . . . . 72.25 111.839 -172.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.66 150.14 13.17 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.769 -0.729 . . . . 63.219999999999999 113.407 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.99 179.1 5.34 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.954 -0.387 . . . . 40.130000000000003 109.954 176.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 1.13 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 38.9 m -74.11 87.11 1.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.898 0.38 . . . . 65.540000000000006 110.198 177.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 p -100.57 115.73 42.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.602 0.715 . . . . 73.340000000000003 111.255 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.72 100.79 9.23 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.323 -0.853 . . . . 53.25 108.929 173.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -125.12 153.16 43.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.829 0.347 . . . . 75.519999999999996 110.648 -174.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.97 153.9 26.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.825 -0.625 . . . . 72.109999999999999 110.299 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.537 HG21 ' HG3' ' A' ' 39' ' ' ARG . 54.0 mt -114.0 121.76 66.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.465 -0.789 . . . . 75.129999999999995 109.368 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.864 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 17.6 tppt? -92.19 110.67 22.06 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.467 0.651 . . . . 75.230000000000004 110.253 177.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.42 ' HA ' HG12 ' A' ' 76' ' ' VAL . 2.6 m-20 -76.06 113.89 14.08 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.62 -1.173 . . . . 72.200000000000003 110.235 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 mt -120.96 179.27 4.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.82 0.343 . . . . 70.409999999999997 110.387 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.17 104.92 11.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.034 -0.53 . . . . 75.120000000000005 111.152 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.43 -12.59 68.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.035 -0.602 . . . . 75.030000000000001 112.932 174.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -153.17 171.13 18.94 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.718 -0.475 . . . . 72.019999999999996 109.718 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 71' ' ' ASP . 27.1 m -138.14 153.56 27.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.378 -0.374 . . . . 73.519999999999996 110.6 175.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.864 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 40.7 tt0 -102.76 114.18 28.22 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.893 -0.594 . . . . 73.109999999999999 109.709 175.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.503 HD23 HG12 ' A' ' 69' ' ' ILE . 3.2 tm? -93.63 109.37 21.01 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.085 -1.08 . . . . 63.200000000000003 108.085 174.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -123.83 112.95 17.89 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.836 -0.62 . . . . 64.319999999999993 109.463 -173.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.12 140.04 47.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.962 0.41 . . . . 71.219999999999999 111.794 -174.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.05 107.95 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.542 -0.754 . . . . 74.129999999999995 110.563 175.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -96.75 112.71 24.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.536 -0.542 . . . . 75.219999999999999 109.536 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . 1.13 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 9.5 m -97.41 113.44 25.11 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.892 0.377 . . . . 50.229999999999997 110.093 -175.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.6 ' CD1' ' HB3' ' A' ' 57' ' ' SER . 86.9 m-85 -98.33 170.51 8.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.825 -0.625 . . . . 74.25 110.286 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.9 m -67.78 -41.67 82.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.33 -0.396 . . . . 25.219999999999999 110.879 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 38.3 m -130.37 155.15 46.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.284 -0.416 . . . . 73.230000000000004 110.053 -178.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.565 ' O ' HG12 ' A' ' 91' ' ' ILE . 33.1 tt0 -64.49 -27.98 69.35 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.077 -0.249 . . . . 63.039999999999999 110.549 178.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.84 -48.3 64.02 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.344 0.402 . . . . 64.25 110.54 176.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' A' ' 89' ' ' GLU . 1.6 mm-40 -65.05 -30.21 71.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.405 0.621 . . . . 74.409999999999997 110.146 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.673 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 13.4 tmm? -74.89 -48.71 23.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.489 -0.778 . . . . 65.420000000000002 110.621 -176.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 87' ' ' GLN . 13.2 pt -69.04 -42.8 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.45 -0.341 . . . . 71.319999999999993 111.505 -178.119 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.454 ' HA ' HD12 ' A' ' 95' ' ' LEU . 2.6 pp -62.3 -29.51 46.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-O 120.997 0.427 . . . . 74.219999999999999 110.369 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.518 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 57.0 t80 -62.26 -51.09 69.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.741 -0.663 . . . . 72.349999999999994 110.772 177.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.58 -28.43 56.2 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.955 -0.298 . . . . 75.530000000000001 110.589 -177.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 92' ' ' ILE . 75.7 mt -59.55 -45.99 90.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.975 0.416 . . . . 73.010000000000005 110.128 172.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.0 m -59.27 -39.42 82.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.894 -0.594 . . . . 71.129999999999995 110.479 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.3 mt -61.57 -48.43 80.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 61.229999999999997 110.395 177.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -64.66 -37.98 89.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.692 . . . . 64.209999999999994 111.649 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.4 m -78.95 -25.59 43.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.181 -0.463 . . . . 44.100000000000001 111.674 -176.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.4 tp -93.13 -53.22 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.658 0.266 . . . . 63.100000000000001 110.916 -178.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.93 45.96 0.86 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.172 0.51 . . . . 72.310000000000002 110.226 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 43.8 mt -60.06 -67.06 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.514 -0.766 . . . . 61.520000000000003 110.813 176.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 58.62 -78.42 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.885 0.74 . . . . 64.540000000000006 110.98 -175.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -154.79 56.81 0.68 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.457 0.646 . . . . 74.239999999999995 110.655 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -107.63 96.36 6.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.204 0.526 . . . . 65.099999999999994 110.559 178.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -116.01 -9.26 11.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.415 -0.812 . . . . 73.409999999999997 110.36 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -77.14 -7.16 55.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.977 -0.556 . . . . 73.420000000000002 112.216 -177.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 -140.25 140.83 35.86 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.973 -0.38 . . . . 75.140000000000001 109.973 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 . . . . . 0 C--O 1.249 1.04 0 N-CA-C 109.053 -0.721 . . . . 75.5 109.053 173.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.206 -0.294 . . . . 72.349999999999994 110.206 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.53 101.27 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.937 0.399 . . . . 63.329999999999998 110.864 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -101.26 -64.33 1.06 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.888 -0.596 . . . . 71.439999999999998 109.955 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.1 tttm 63.88 101.32 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.542 0.687 . . . . 71.239999999999995 111.555 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -108.99 156.93 19.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.731 -0.668 . . . . 75.340000000000003 110.794 -177.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.5 p -135.28 145.53 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.477 -0.329 . . . . 74.129999999999995 110.2 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.6 t -111.91 116.45 52.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.685 0.279 . . . . 71.099999999999994 110.958 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -151.75 110.31 3.8 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.453 -0.339 . . . . 73.120000000000005 110.091 174.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -91.89 -61.73 1.57 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.822 -0.436 . . . . 65.530000000000001 109.822 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.2 t -166.64 133.01 2.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 72.140000000000001 110.108 177.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.0 t -91.62 103.93 16.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.09 0.471 . . . . 55.350000000000001 110.267 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t -106.81 114.48 28.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 65.219999999999999 110.146 177.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.42 ' HB2' ' HE3' ' A' ' 13' ' ' LYS . 36.5 ttmt -160.32 156.37 26.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.189 -0.459 . . . . 64.319999999999993 110.128 -176.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.74 7.84 11.48 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.718 -0.753 . . . . 72.430000000000007 112.141 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 t -102.01 38.89 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.325 0.583 . . . . 70.200000000000003 109.881 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.05 143.52 20.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.774 -0.648 . . . . 63.229999999999997 110.782 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.0 tt -82.94 121.41 35.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.077 -0.712 . . . . 62.310000000000002 109.077 174.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -143.1 166.97 23.22 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.168 -0.469 . . . . 65.329999999999998 110.222 -173.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.689 HG13 ' HB3' ' A' ' 95' ' ' LEU . 42.3 mm -95.03 -24.04 4.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.155 0.503 . . . . 54.119999999999997 109.955 179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.96 -21.1 46.29 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.011 -0.614 . . . . 75.109999999999999 111.795 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.4 t -134.91 142.92 46.67 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.829 -0.434 . . . . 71.109999999999999 109.829 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.7 t -130.49 135.99 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.182 -0.463 . . . . 55.539999999999999 109.872 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.9 tt -61.6 145.81 12.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.471 -0.331 . . . . 72.209999999999994 110.195 176.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -52.49 -69.84 0.1 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.177 -0.465 . . . . 72.239999999999995 111.889 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -168.98 169.31 9.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.449 -0.341 . . . . 52.409999999999997 110.368 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -174.7 -160.37 0.09 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.513 -1.292 . . . . 62.32 107.513 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -88.95 -171.89 3.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.681 0.277 . . . . 51.520000000000003 110.803 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 62.8 m -92.2 -20.95 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.698 0.285 . . . . 63.530000000000001 111.454 -174.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 39.0 m -85.61 127.41 34.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.98 0.419 . . . . 73.409999999999997 110.482 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.753 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 15.2 t -97.22 105.54 17.71 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.509 -0.552 . . . . 73.530000000000001 109.509 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 80' ' ' ALA . 48.6 mtmt -109.9 149.1 30.38 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.381 0.61 . . . . 74.349999999999994 111.302 176.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -152.39 124.3 7.98 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.972 -1.013 . . . . 51.219999999999999 109.627 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 13.4 m -124.59 108.89 12.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.479 -0.328 . . . . 52.109999999999999 110.229 -178.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 34' ' ' ARG . 21.6 ttt85 -127.51 145.41 50.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.894 0.378 . . . . 53.200000000000003 111.415 -177.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -82.52 133.4 35.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.558 -0.747 . . . . 74.540000000000006 109.826 176.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.444 ' HE2' ' HB3' ' A' ' 78' ' ' LEU . 84.6 m-85 -120.21 157.64 28.67 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.154 -0.475 . . . . 73.030000000000001 110.106 176.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.74 -49.46 68.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.131 -0.486 . . . . 75.239999999999995 111.08 -178.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 42.0 p -124.2 160.15 28.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.15 -0.477 . . . . 62.299999999999997 110.126 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.602 ' HA ' HG21 ' A' ' 76' ' ' VAL . 17.2 ttt180 -63.81 -25.99 68.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.957 0.408 . . . . 75.340000000000003 110.127 176.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.81 -47.88 83.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.941 -0.572 . . . . 71.400000000000006 110.541 174.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 38.2 mm-40 -52.72 -33.09 46.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.198 -0.91 . . . . 62.219999999999999 111.295 177.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.482 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -75.41 -53.05 9.34 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.082 -0.508 . . . . 75.030000000000001 111.45 -176.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.95 -33.13 74.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.402 -0.363 . . . . 62.450000000000003 111.387 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -69.2 -30.05 68.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.913 0.387 . . . . 64.140000000000001 110.398 177.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.565 ' O ' HD23 ' A' ' 49' ' ' LEU . 80.9 t80 -71.02 -42.57 69.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 75.150000000000006 109.881 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.404 ' HE2' HD11 ' A' ' 78' ' ' LEU . 40.1 tpp -61.76 -24.3 66.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.782 -0.645 . . . . 74.319999999999993 111.391 -179.04 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.2 m -58.34 -49.85 75.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.388 -0.369 . . . . 64.329999999999998 111.246 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HE2' HD23 ' A' ' 100' ' ' LEU . 6.8 ptpp? -71.46 -29.52 64.95 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.884 -0.326 . . . . 63.240000000000002 110.807 -178.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 45' ' ' PHE . 2.9 mm? -58.29 -43.62 88.14 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.94 0.4 . . . . 71.230000000000004 110.499 178.35 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -60.37 -49.13 78.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.822 -0.626 . . . . 73.540000000000006 111.348 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -69.66 -36.24 75.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.068 -0.515 . . . . 72.349999999999994 111.091 -176.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.3 mt -65.34 -35.63 81.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.997 -0.547 . . . . 74.319999999999993 111.197 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.94 -37.48 86.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.148 0.499 . . . . 65.150000000000006 110.252 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.585 ' O ' ' HA ' ' A' ' 58' ' ' SER . . . -67.75 -29.81 69.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.611 -0.722 . . . . 73.540000000000006 110.991 177.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.65 -33.64 35.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.377 -0.374 . . . . 75.439999999999998 111.135 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.08 -57.07 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 55.030000000000001 111.86 -176.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.494 ' HG ' ' HD1' ' A' ' 84' ' ' PHE . 44.6 m -104.29 -2.28 25.82 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.112 0.412 . . . . 62.409999999999997 112.112 -175.012 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.585 ' HA ' ' O ' ' A' ' 54' ' ' ALA . 54.7 m 69.78 -56.4 0.57 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.829 0.706 . . . . 71.420000000000002 110.263 -174.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.619 ' HB1' ' HA2' ' A' ' 62' ' ' GLY . . . 71.92 -57.75 0.61 Allowed 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.969 0.908 . . . . 61.439999999999998 112.454 174.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.8 t70 60.68 -80.9 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.845 0.715 . . . . 64.519999999999996 110.594 -174.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -70.12 -34.46 73.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.287 -0.635 . . . . 74.129999999999995 109.287 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.619 ' HA2' ' HB1' ' A' ' 59' ' ' ALA . . . 123.75 127.84 3.26 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.54 -0.838 . . . . 74.310000000000002 113.273 173.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.24 157.79 37.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.203 -0.666 . . . . 75.219999999999999 109.203 170.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.824 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 16.4 m -58.95 107.17 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.996 0.427 . . . . 73.230000000000004 110.79 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.63 123.96 72.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.345 0.593 . . . . 63.130000000000003 111.47 -177.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . . . -124.88 139.1 54.14 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.37 -0.832 . . . . 72.219999999999999 109.378 174.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -140.52 140.5 35.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.882 0.372 . . . . 73.439999999999998 110.732 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.884 ' HB2' ' HB2' ' A' ' 79' ' ' ASP . 95.9 mttt -128.63 140.65 51.66 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.837 -0.62 . . . . 73.109999999999999 110.405 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.3 mt -126.35 103.96 12.2 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 CA-C-N 115.05 -0.977 . . . . 61.439999999999998 108.493 174.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -96.29 121.06 37.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.13 0.491 . . . . 73.519999999999996 110.895 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.497 ' HA ' HG12 ' A' ' 76' ' ' VAL . 14.0 m-20 -79.12 97.2 6.07 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.025 -0.989 . . . . 55.310000000000002 109.253 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 85.2 mt -92.98 -177.02 4.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.899 0.38 . . . . 73.340000000000003 110.051 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.17 101.97 14.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.947 0.403 . . . . 75.209999999999994 110.595 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.39 -27.63 14.79 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 115.844 -0.616 . . . . 52.100000000000001 112.311 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 11.1 pt20 -138.3 -179.82 6.02 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.83 -0.433 . . . . 70.099999999999994 109.83 -178.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.602 HG21 ' HA ' ' A' ' 39' ' ' ARG . 31.5 m -138.27 157.93 31.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 110.012 -0.366 . . . . 74.25 110.012 175.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -116.87 122.95 45.83 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.909 -0.404 . . . . 75.049999999999997 109.909 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.482 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.5 tm? -96.52 120.37 36.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.323 -0.853 . . . . 73.409999999999997 109.55 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.884 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 14.5 m-20 -107.95 116.15 31.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.028 -0.533 . . . . 72.549999999999997 110.498 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.629 ' O ' ' HA ' ' A' ' 31' ' ' LYS . . . -109.89 128.37 55.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.237 -0.438 . . . . 72.129999999999995 110.021 175.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . . . -133.47 103.76 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.861 0.362 . . . . 73.430000000000007 110.662 178.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -113.14 131.32 55.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.3 -0.409 . . . . 65.230000000000004 110.61 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.824 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 18.7 m -108.18 109.77 21.25 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.129 -0.323 . . . . 54.329999999999998 110.129 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.494 ' HD1' ' HG ' ' A' ' 57' ' ' SER . 69.7 m-85 -100.26 171.69 7.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 110.674 -178.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.1 m -86.24 -44.78 11.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.232 -0.44 . . . . 72.540000000000006 110.533 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.513 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 27.8 m -112.1 145.1 40.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.133 -0.485 . . . . 73.329999999999998 110.31 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.526 ' O ' HG12 ' A' ' 91' ' ' ILE . 18.6 tt0 -68.68 -28.45 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 74.230000000000004 110.369 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.481 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -57.07 -36.36 70.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.906 -0.588 . . . . 52.329999999999998 110.622 175.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.513 ' HG3' ' HB2' ' A' ' 86' ' ' CYS . 30.2 mt-10 -73.91 -34.2 64.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.939 -0.573 . . . . 71.310000000000002 110.038 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.753 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 14.4 tmm? -67.84 -48.97 64.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.794 -0.639 . . . . 64.129999999999995 110.416 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 87' ' ' GLN . 18.8 pt -66.39 -45.1 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.405 -0.361 . . . . 71.129999999999995 111.877 -177.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 88' ' ' ALA . 40.3 pt -63.28 -30.74 50.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-O 120.981 0.42 . . . . 62.399999999999999 110.462 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.431 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 91.1 t80 -66.85 -52.03 48.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.794 -0.639 . . . . 71.409999999999997 111.124 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.411 ' HA ' ' HG ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -73.73 -28.38 61.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.685 0.278 . . . . 71.430000000000007 111.142 -175.387 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.689 ' HB3' HG13 ' A' ' 19' ' ' ILE . 74.5 mt -69.31 -40.55 77.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.774 0.321 . . . . 73.340000000000003 110.699 176.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.8 m -68.03 -23.49 64.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.538 -0.301 . . . . 33.350000000000001 111.319 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 84.7 mt -54.81 -51.86 64.5 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.829 0.347 . . . . 64.109999999999999 111.133 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -37.36 49.67 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.694 -0.402 . . . . 75.430000000000007 111.311 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.9 t -71.39 -12.46 61.43 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.992 0.367 . . . . 62.310000000000002 111.992 -174.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.411 HD23 ' HE2' ' A' ' 48' ' ' LYS . 21.0 tp -76.43 -50.28 14.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.876 0.369 . . . . 73.109999999999999 110.233 178.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.38 -33.9 55.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.002 -0.545 . . . . 64.409999999999997 110.081 178.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.0 mp -95.95 74.61 3.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.686 -0.688 . . . . 65.549999999999997 110.047 178.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.89 -31.81 73.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.435 -0.802 . . . . 75.540000000000006 109.822 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -84.54 101.65 12.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.542 -0.754 . . . . 75.230000000000004 108.986 173.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -67.71 145.3 54.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.086 -0.506 . . . . 64.340000000000003 111.685 -176.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -102.62 142.76 33.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.579 -0.737 . . . . 73.299999999999997 109.436 176.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -120.55 40.77 3.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.027 0.442 . . . . 74.340000000000003 110.874 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -164.7 -74.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.831 -0.622 . . . . 74.140000000000001 109.919 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 . . . . . 0 C--O 1.249 1.074 0 N-CA-C 108.977 -0.749 . . . . 71.530000000000001 108.977 177.289 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 120.844 0.354 . . . . 72.099999999999994 110.359 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.84 113.99 4.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.03 -0.532 . . . . 50.439999999999998 110.434 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 84.5 mtp -81.29 105.27 12.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.066 -0.516 . . . . 73.340000000000003 109.687 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -88.54 66.69 8.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.243 0.544 . . . . 74.25 111.701 -173.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -114.17 3.5 15.22 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.042 -0.725 . . . . 64.0 109.042 172.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.6 m -63.04 129.67 26.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 114.864 -1.062 . . . . 64.299999999999997 111.642 -177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.7 p -145.36 138.26 21.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.908 -0.587 . . . . 72.310000000000002 109.984 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 4.8 t70 -129.99 -161.03 1.08 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.173 -0.677 . . . . 75.420000000000002 109.173 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.634 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 4.9 ttpm? 64.97 61.74 0.76 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.694 0.759 . . . . 74.25 109.017 -177.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.6 t -130.41 30.22 4.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.334 -0.848 . . . . 73.140000000000001 109.906 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.7 t -125.47 81.08 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.933 -0.766 . . . . 71.409999999999997 108.933 174.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.685 HG22 ' HG2' ' A' ' 13' ' ' LYS . 3.2 m -120.29 142.35 49.17 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.575 -0.739 . . . . 71.510000000000005 110.616 -174.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.91 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 10.5 mmpt? 66.37 -159.42 0.25 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.835 -0.621 . . . . 71.049999999999997 111.51 172.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.25 20.17 3.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.07 -0.586 . . . . 51.119999999999997 112.0 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.9 t -93.28 90.52 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.679 -0.489 . . . . 75.519999999999996 109.679 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.8 120.06 21.09 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.964 -0.562 . . . . 71.140000000000001 110.694 -178.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.1 pt -121.44 156.42 25.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.991 -0.549 . . . . 70.340000000000003 110.184 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -117.81 131.58 56.55 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.438 -0.346 . . . . 53.100000000000001 110.481 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.473 ' CG1' ' HA ' ' A' ' 95' ' ' LEU . 37.0 mm -67.44 -33.78 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.235 0.54 . . . . 74.400000000000006 109.967 176.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.51 70.35 1.35 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.851 -0.69 . . . . 62.299999999999997 111.62 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -78.71 52.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.601 0.715 . . . . 62.240000000000002 110.626 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.2 p -111.24 10.84 8.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 122.22 1.009 . . . . 73.129999999999995 108.939 176.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.5 tt -91.29 158.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.232 -1.349 . . . . 70.5 109.661 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.78 115.54 2.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.22 0.533 . . . . 71.420000000000002 111.744 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -78.38 56.65 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.325 -0.852 . . . . 62.340000000000003 110.856 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -60.01 -68.2 0.31 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.129 -0.942 . . . . 55.420000000000002 112.468 -173.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -112.72 172.42 6.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.097 0.475 . . . . 71.430000000000007 111.855 -174.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 87' ' ' GLN . 62.0 m -103.04 5.51 38.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.582 -0.735 . . . . 63.119999999999997 110.131 178.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.52 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 52.3 m -97.88 124.35 42.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.68 -0.691 . . . . 73.129999999999995 110.647 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.498 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 47.7 t -99.06 135.76 39.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.904 -0.406 . . . . 71.019999999999996 109.904 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -106.31 112.6 25.68 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.167 -0.469 . . . . 72.310000000000002 110.263 177.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.633 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 93.5 t80 -100.07 118.31 36.17 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.15 -0.685 . . . . 75.5 109.15 176.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 19.6 m -133.04 106.65 7.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.062 0.458 . . . . 71.400000000000006 110.213 -179.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.98 139.36 48.62 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.155 -0.475 . . . . 61.340000000000003 109.866 -178.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -93.03 139.13 30.85 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.902 -0.59 . . . . 74.5 110.143 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -131.04 165.65 22.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.507 -0.315 . . . . 64.049999999999997 110.337 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.95 -55.62 24.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.04 -0.527 . . . . 62.43 111.541 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.431 ' OG1' ' HG2' ' A' ' 41' ' ' GLU . 70.2 p -120.86 159.29 25.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.357 -0.383 . . . . 70.430000000000007 110.106 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.837 ' HG3' HG21 ' A' ' 69' ' ' ILE . 20.7 ttt180 -60.87 -29.32 69.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.268 0.556 . . . . 63.240000000000002 110.092 175.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.41 -45.67 93.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.361 -0.836 . . . . 74.25 110.428 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 33.2 mm-40 -57.74 -32.68 67.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.693 -0.685 . . . . 73.209999999999994 110.504 175.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.88 -53.17 8.85 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.577 -0.738 . . . . 51.399999999999999 111.702 -174.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.565 ' HG2' HG12 ' A' ' 69' ' ' ILE . 40.0 mt-10 -69.02 -21.02 64.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 50.520000000000003 111.363 -176.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.8 m -79.04 -28.05 43.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.493 -0.321 . . . . 72.319999999999993 110.52 177.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.486 ' O ' HD23 ' A' ' 49' ' ' LEU . 22.1 t80 -74.12 -25.84 60.0 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.466 -0.568 . . . . 74.439999999999998 109.466 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.481 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 50.5 tpp -65.35 -29.73 70.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.593 -0.731 . . . . 74.0 110.764 178.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.582 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 3.1 m -56.5 -49.94 73.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.042 0.449 . . . . 65.0 111.205 -178.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.418 ' HB2' ' HE3' ' A' ' 48' ' ' LYS . 16.5 ptmt -73.82 -27.02 60.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.062 -0.517 . . . . 74.430000000000007 110.883 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 45' ' ' PHE . 3.4 mm? -62.24 -37.51 85.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.467 -0.333 . . . . 74.25 110.63 174.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.582 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 35.5 mtpt -53.12 -51.22 62.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.121 0.486 . . . . 61.350000000000001 110.133 173.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -54.84 -51.44 65.88 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.345 -0.843 . . . . 54.119999999999997 110.773 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.11 -48.66 80.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.593 -0.73 . . . . 70.530000000000001 111.417 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.64 -43.83 92.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.535 -0.302 . . . . 72.530000000000001 111.267 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.36 71.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 54.310000000000002 111.305 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.7 -43.01 19.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.299 -0.41 . . . . 71.450000000000003 111.321 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.91 -47.89 76.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 64.340000000000003 111.297 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.511 ' HB3' ' HD2' ' A' ' 84' ' ' PHE . 79.4 p -89.88 133.1 34.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.262 -0.426 . . . . 73.030000000000001 110.263 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -75.31 14.59 0.55 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.139 0.495 . . . . 74.129999999999995 111.296 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.12 -30.18 62.18 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.169 -0.469 . . . . 51.329999999999998 109.777 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 70.62 -50.59 0.67 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.269 -0.878 . . . . 63.140000000000001 112.467 176.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.72 -30.5 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.12 0.485 . . . . 75.340000000000003 110.139 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.24 167.19 11.88 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.545 -0.752 . . . . 55.520000000000003 111.629 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.63 171.69 9.2 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.051 -0.351 . . . . 65.329999999999998 110.051 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.799 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 69.3 m -74.5 90.15 2.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.963 0.411 . . . . 70.430000000000007 110.092 176.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 3.4 p -101.39 116.42 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.628 0.728 . . . . 53.200000000000003 111.808 -175.15 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.79 96.75 7.8 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.172 -0.922 . . . . 43.43 108.682 170.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 31.8 p90 -106.84 152.86 23.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.001 0.429 . . . . 74.310000000000002 111.048 -173.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HG2' ' HB3' ' A' ' 79' ' ' ASP . 0.7 OUTLIER -144.63 148.8 34.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.648 -0.705 . . . . 75.030000000000001 109.781 178.237 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.837 HG21 ' HG3' ' A' ' 39' ' ' ARG . 4.0 mp -120.04 109.51 26.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 108.68 -0.859 . . . . 70.099999999999994 108.68 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.741 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 22.6 tptm -96.72 119.39 35.12 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.383 0.611 . . . . 53.43 111.047 -173.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.48 105.38 7.5 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.883 -1.053 . . . . 73.019999999999996 109.72 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 77' ' ' GLU . 94.5 mt -106.93 -175.75 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.258 0.551 . . . . 72.329999999999998 111.338 -176.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -92.77 100.84 13.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.403 -0.817 . . . . 73.409999999999997 110.502 -177.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.43 -7.04 78.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.022 -0.608 . . . . 51.409999999999997 112.479 178.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 12.6 pt20 -160.19 177.82 10.28 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.271 -0.64 . . . . 71.310000000000002 109.271 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.591 HG21 ' HA ' ' A' ' 39' ' ' ARG . 27.0 m -131.87 150.73 34.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.085 -0.339 . . . . 74.430000000000007 110.085 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.741 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 35.5 tt0 -105.52 113.91 27.77 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.901 -0.59 . . . . 74.439999999999998 109.706 179.24 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -98.38 114.19 26.43 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.514 -0.921 . . . . 74.530000000000001 108.514 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.633 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 19.7 t70 -128.0 135.82 50.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.112 -0.494 . . . . 44.240000000000002 110.212 -177.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.552 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -143.42 124.88 14.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.375 -0.375 . . . . 55.119999999999997 110.845 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.494 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -100.17 101.5 12.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.057 -0.52 . . . . 73.340000000000003 110.398 177.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' A' ' 29' ' ' THR . 97.1 m-85 -91.52 111.47 22.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.535 -0.302 . . . . 62.530000000000001 110.486 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.799 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 34.1 m -95.95 105.79 17.86 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.756 -0.461 . . . . 65.129999999999995 109.756 175.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.511 ' HD2' ' HB3' ' A' ' 57' ' ' SER . 94.7 m-85 -86.22 150.02 24.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.949 -0.569 . . . . 53.32 110.492 -178.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.3 m -64.48 -30.98 72.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.325 0.584 . . . . 61.109999999999999 110.544 177.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.584 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 55.8 m -126.81 142.79 51.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.799 -0.637 . . . . 73.109999999999999 109.627 177.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.422 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 29.0 tt0 -66.98 -28.85 68.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.721 0.295 . . . . 74.329999999999998 110.842 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.443 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.54 -39.13 70.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 52.439999999999998 110.827 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.584 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 2.1 mm-40 -67.2 -28.59 68.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.051 -0.522 . . . . 50.32 110.295 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.498 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 16.8 tmm? -75.61 -49.36 18.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.609 . . . . 72.340000000000003 110.646 -177.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 4.7 pt -66.58 -35.97 76.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.239 0.459 . . . . 70.019999999999996 112.239 -177.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 88' ' ' ALA . 36.8 pt -69.63 -29.71 42.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-O 121.166 0.508 . . . . 72.239999999999995 110.354 177.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.592 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 61.8 t80 -64.59 -46.57 82.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.565 -0.743 . . . . 75.409999999999997 109.956 176.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -56.78 -47.59 79.79 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.952 -0.567 . . . . 74.420000000000002 111.307 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 70.5 mt -54.56 -40.22 68.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.671 -0.695 . . . . 71.150000000000006 110.957 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.6 m -83.31 -20.74 33.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.644 -0.707 . . . . 55.210000000000001 111.973 -173.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 79.9 mt -66.17 -52.53 47.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.841 0.353 . . . . 72.530000000000001 111.041 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -75.84 -29.36 58.57 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.685 -0.406 . . . . 74.439999999999998 111.04 -177.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.2 m -75.46 1.79 13.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.616 0.246 . . . . 72.439999999999998 111.447 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.1 tp -101.26 -52.27 3.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 75.010000000000005 111.269 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -111.83 1.6 16.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.467 -0.333 . . . . 64.450000000000003 111.422 -176.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 92.9 mt 68.51 -70.82 0.12 Allowed 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.79 0.836 . . . . 71.319999999999993 111.241 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 54.11 100.67 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 O-C-N 124.003 0.815 . . . . 63.530000000000001 112.294 -177.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -89.79 18.12 5.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.481 0.658 . . . . 65.239999999999995 109.578 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -72.6 118.14 15.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.548 -0.751 . . . . 73.120000000000005 110.444 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -76.83 166.88 22.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.654 -0.703 . . . . 64.010000000000005 110.428 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -90.97 120.63 32.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.676 -0.49 . . . . 73.219999999999999 109.676 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -63.46 144.74 56.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.095 0.474 . . . . 55.030000000000001 111.583 -177.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 39.2 m80 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.281 -0.866 . . . . 72.439999999999998 109.702 177.871 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.752 0.31 . . . . 62.109999999999999 110.362 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.442 ' HB1' ' HE2' ' A' ' 4' ' ' LYS . . . -165.08 87.65 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 44.350000000000001 110.378 178.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -99.11 40.08 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.482 -0.326 . . . . 62.329999999999998 110.667 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.442 ' HE2' ' HB1' ' A' ' 2' ' ' ALA . 0.0 OUTLIER -81.01 84.67 6.42 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.85 -0.426 . . . . 74.040000000000006 109.85 178.164 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -126.99 94.26 3.98 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.96 -0.564 . . . . 72.010000000000005 109.979 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 p -128.91 131.02 68.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.571 -0.74 . . . . 64.239999999999995 110.422 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 44.4 t -105.03 101.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.034 -0.53 . . . . 52.240000000000002 111.299 -178.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -155.47 123.28 5.7 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.195 -0.668 . . . . 74.239999999999995 109.195 171.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -167.71 50.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.209 0.528 . . . . 73.25 110.362 -176.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -141.61 94.97 2.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.073 0.463 . . . . 73.120000000000005 110.256 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.0 t -160.51 93.46 1.02 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.854 -0.795 . . . . 65.450000000000003 108.854 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.0 p -119.36 -40.75 2.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.898 -0.592 . . . . 75.209999999999994 111.636 -174.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -73.52 124.55 26.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.01 0.433 . . . . 74.0 111.203 -174.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.24 77.03 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.505 -0.77 . . . . 53.109999999999999 111.844 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -170.84 122.37 0.59 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.958 -0.386 . . . . 63.240000000000002 109.958 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.26 143.4 10.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.057 0.456 . . . . 62.229999999999997 111.469 -178.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.0 tt -101.87 140.29 20.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.778 -0.647 . . . . 72.319999999999993 109.42 174.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -148.96 151.81 35.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.353 -0.24 . . . . 45.43 110.353 -176.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.605 ' O ' HD13 ' A' ' 95' ' ' LEU . 48.3 mt -63.51 -54.3 34.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.567 -0.288 . . . . 73.340000000000003 110.604 176.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.77 50.14 4.05 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.395 -0.431 . . . . 53.539999999999999 113.397 -171.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -102.89 -2.61 27.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.703 0.763 . . . . 74.510000000000005 109.606 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.438 ' O ' HD11 ' A' ' 95' ' ' LEU . 61.4 t -125.02 120.58 58.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.843 -1.071 . . . . 72.340000000000003 109.479 176.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.703 ' HA ' HG21 ' A' ' 91' ' ' ILE . 8.9 tt -128.87 114.98 34.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.372 0.606 . . . . 42.240000000000002 111.277 -176.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -78.33 -28.05 47.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.487 -0.778 . . . . 75.540000000000006 110.166 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 42.64 34.91 0.61 Allowed 'General case' 0 N--CA 1.474 0.756 0 O-C-N 124.102 0.877 . . . . 64.0 111.726 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -79.49 -50.7 10.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.289 -0.869 . . . . 74.25 111.759 -174.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.526 ' HB3' ' H ' ' A' ' 29' ' ' THR . 19.0 m-80 -139.8 -170.61 2.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.679 -0.237 . . . . 74.450000000000003 110.547 -178.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.3 p -111.24 -7.99 14.4 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.264 -1.013 . . . . 64.420000000000002 108.264 167.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.526 ' H ' ' HB3' ' A' ' 27' ' ' ASN . 9.6 m -108.26 125.67 51.94 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.534 -1.212 . . . . 73.219999999999999 110.4 -178.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.405 ' OG ' ' HG3' ' A' ' 90' ' ' MET . 73.9 m -97.41 103.54 15.49 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.867 -0.606 . . . . 74.420000000000002 110.474 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.823 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -98.3 112.42 24.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.867 0.842 . . . . 61.409999999999997 109.311 175.14 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.43 ' HE2' ' HZ ' ' A' ' 45' ' ' PHE . 34.6 t80 -119.27 118.63 31.76 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.634 -1.166 . . . . 74.510000000000005 110.214 -176.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 1.9 m -111.2 131.11 55.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.854 -0.612 . . . . 63.219999999999999 110.523 -178.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 34' ' ' ARG . 1.1 mmp_? -137.19 144.55 42.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.257 -0.428 . . . . 71.219999999999999 110.671 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -96.7 139.09 33.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.309 -0.405 . . . . 73.409999999999997 110.697 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -137.35 174.93 10.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.203 -0.453 . . . . 72.040000000000006 109.79 177.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.27 -55.9 6.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.823 0.344 . . . . 74.019999999999996 111.255 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.5 159.57 34.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.758 0.313 . . . . 62.420000000000002 111.594 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 15.7 ptt-85 -61.0 -26.49 67.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.86 -0.609 . . . . 65.299999999999997 111.575 -178.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.97 -45.82 90.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.361 0.601 . . . . 73.010000000000005 110.134 175.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -57.05 -31.09 64.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.833 -1.076 . . . . 44.409999999999997 110.508 176.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.57 -37.44 59.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.434 -0.803 . . . . 72.010000000000005 110.89 -178.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 45.3 mt-10 -66.33 -41.48 89.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.388 . . . . 52.310000000000002 110.177 178.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.8 m -61.61 -30.64 70.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.056 -0.52 . . . . 51.439999999999998 110.786 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.512 ' O ' HD23 ' A' ' 49' ' ' LEU . 62.0 t80 -69.02 -40.12 78.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.219999999999999 109.87 178.018 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 33.1 tpp -66.65 -30.34 70.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.158 -0.474 . . . . 72.120000000000005 110.665 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.5 m -60.45 -45.57 93.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.966 -0.561 . . . . 44.439999999999998 111.279 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 3.0 ptpp? -73.18 -36.31 66.55 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.682 -0.407 . . . . 72.540000000000006 110.687 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.1 mm? -64.54 -38.4 90.89 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.342 -0.39 . . . . 52.420000000000002 111.133 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HE3' HG11 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -52.76 -51.0 62.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 73.030000000000001 111.486 177.143 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -67.06 -36.43 82.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 75.400000000000006 111.066 -177.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 96.5 mt -66.92 -42.46 85.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.115 -0.493 . . . . 73.150000000000006 110.831 178.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.92 78.66 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.107 -0.497 . . . . 53.340000000000003 111.346 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.94 -33.81 76.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.112 -0.494 . . . . 74.25 111.35 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.55 -29.86 23.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.174 0.511 . . . . 60.119999999999997 111.084 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.9 -54.39 7.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.054 -0.521 . . . . 65.409999999999997 111.673 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.609 ' HA ' ' OE2' ' A' ' 89' ' ' GLU . 20.5 p -99.56 131.85 45.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 52.409999999999997 111.784 -174.313 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.7 m -97.98 41.68 1.12 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.655 -0.702 . . . . 72.420000000000002 111.3 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 62' ' ' GLY . . . -78.48 -53.08 7.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.044 -0.525 . . . . 60.439999999999998 110.898 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -166.1 -73.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 74.209999999999994 110.37 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -127.4 13.58 7.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.671 0.748 . . . . 74.230000000000004 109.323 175.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.464 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . 147.73 -161.19 28.5 Favored Glycine 0 N--CA 1.443 -0.889 0 CA-C-N 114.806 -1.088 . . . . 72.519999999999996 110.46 -175.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -114.03 167.24 10.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 117.005 0.402 . . . . 63.539999999999999 110.217 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.749 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 41.1 m -66.62 103.53 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.295 0.372 . . . . 71.319999999999993 110.063 177.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.408 HG11 ' HE3' ' A' ' 50' ' ' LYS . 3.6 p -100.33 115.75 42.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.532 0.682 . . . . 60.310000000000002 110.955 -176.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.22 96.48 6.15 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.305 -0.861 . . . . 72.129999999999995 109.008 172.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 20.4 p90 -118.36 143.39 46.67 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.212 -0.449 . . . . 72.519999999999996 110.96 -174.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -132.43 152.42 51.49 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.674 -0.693 . . . . 72.140000000000001 109.394 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.472 HG12 HD23 ' A' ' 78' ' ' LEU . 54.2 mt -118.16 114.55 45.55 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 CA-C-N 115.729 -0.669 . . . . 74.519999999999996 109.663 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -94.73 113.65 25.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.238 0.542 . . . . 74.319999999999993 109.987 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.711 ' HA ' HG12 ' A' ' 76' ' ' VAL . 12.2 t70 -90.03 97.26 11.08 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.138 -0.937 . . . . 73.040000000000006 109.33 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 46.4 mt -93.18 165.24 12.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.94 -0.573 . . . . 73.310000000000002 110.249 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -77.95 91.96 4.25 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.902 -0.59 . . . . 54.140000000000001 109.876 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.18 -32.49 3.24 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.925 -0.655 . . . . 63.539999999999999 112.42 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.503 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 14.0 pt20 -162.48 174.3 12.87 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.487 -0.56 . . . . 75.430000000000007 109.487 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.711 HG12 ' HA ' ' A' ' 71' ' ' ASP . 24.5 m -128.7 161.18 38.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 C-N-CA 120.984 -0.286 . . . . 73.019999999999996 110.582 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -123.52 124.74 43.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.182 -0.463 . . . . 70.209999999999994 110.463 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.472 HD23 HG12 ' A' ' 69' ' ' ILE . 3.4 tm? -94.09 114.33 26.46 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.344 -0.984 . . . . 64.409999999999997 108.344 173.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -119.51 102.15 8.45 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.034 -0.53 . . . . 70.25 109.983 -175.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' A' ' 31' ' ' LYS . . . -115.75 125.44 52.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.442 -0.345 . . . . 72.310000000000002 111.775 -174.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 31' ' ' LYS . . . -109.53 105.44 14.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.34 -0.391 . . . . 34.539999999999999 110.372 176.199 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -93.21 112.61 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 64.310000000000002 110.184 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.749 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 7.3 m -89.52 106.22 18.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.887 0.375 . . . . 71.349999999999994 110.15 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.524 ' HD1' ' HB3' ' A' ' 57' ' ' SER . 95.9 m-85 -91.7 153.31 19.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.969 -0.56 . . . . 62.539999999999999 111.135 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m -74.4 -21.15 59.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.818 -0.628 . . . . 61.149999999999999 110.752 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.604 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 61.1 m -133.95 150.51 51.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.972 -0.558 . . . . 72.040000000000006 110.127 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -71.44 -30.5 66.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.676 -0.238 . . . . 64.239999999999995 111.452 -178.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.405 ' O ' HG13 ' A' ' 91' ' ' ILE . . . -59.65 -33.92 72.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.714 0.293 . . . . 64.239999999999995 110.821 177.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.609 ' OE2' ' HA ' ' A' ' 57' ' ' SER . 4.2 mm-40 -63.1 -35.3 79.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.866 -0.606 . . . . 73.239999999999995 110.345 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.405 ' HG3' ' OG ' ' A' ' 30' ' ' SER . 37.1 ttp -61.23 -56.21 23.26 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.052 -0.522 . . . . 74.230000000000004 110.881 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.703 HG21 ' HA ' ' A' ' 23' ' ' ILE . 2.2 pt -66.34 -43.73 91.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.708 -0.678 . . . . 54.409999999999997 112.439 -174.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.8 pp -63.96 -30.28 49.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.795 -0.362 . . . . 74.109999999999999 110.877 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.767 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 14.7 t80 -71.98 -52.46 16.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.053 -0.521 . . . . 75.030000000000001 110.251 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.403 ' HB3' ' NH2' ' A' ' 98' ' ' ARG . 61.8 mm-40 -56.04 -45.98 79.02 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.908 -0.587 . . . . 73.340000000000003 111.478 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 19' ' ' ILE . 64.5 mt -65.67 -52.42 51.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.886 -0.597 . . . . 74.430000000000007 111.623 -175.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 m -50.04 -42.89 50.53 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 111.974 0.361 . . . . 70.400000000000006 111.974 172.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.767 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 62.0 mt -65.76 -34.06 77.3 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.645 0.26 . . . . 73.129999999999995 111.586 -177.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.403 ' NH2' ' HB3' ' A' ' 94' ' ' GLU . 8.3 tpp180 -58.51 -47.96 82.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 72.310000000000002 110.89 -175.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.0 m -90.75 13.89 14.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.133 -0.485 . . . . 73.129999999999995 110.858 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.5 tt -105.79 -39.16 6.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.203 -0.453 . . . . 71.030000000000001 110.848 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.426 ' C ' ' H ' ' A' ' 103' ' ' GLU . . . -58.8 -30.29 67.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.725 -0.67 . . . . 73.109999999999999 110.618 177.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 97.8 mt 65.16 -18.68 0.09 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.798 1.036 . . . . 74.239999999999995 113.798 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 101' ' ' ALA . 28.4 mm-40 -55.63 -54.67 41.22 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.759 0.314 . . . . 75.340000000000003 110.932 178.247 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -82.86 71.47 9.96 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.163 -0.68 . . . . 73.239999999999995 109.163 174.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -67.23 124.24 22.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.817 -0.629 . . . . 71.340000000000003 109.96 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -92.95 86.35 5.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.012 0.434 . . . . 73.129999999999995 110.792 -176.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -113.13 -2.3 14.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.727 0.775 . . . . 70.510000000000005 109.112 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -76.35 117.45 18.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.166 -0.925 . . . . 72.530000000000001 109.888 175.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 . . . . . 0 C--O 1.242 0.701 0 CA-C-O 118.578 -0.725 . . . . 73.340000000000003 109.624 175.358 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 121.107 0.48 . . . . 73.310000000000002 110.306 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.86 102.71 6.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.833 -0.622 . . . . 53.450000000000003 110.716 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -153.05 82.88 1.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.553 0.692 . . . . 61.140000000000001 110.28 177.03 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -144.07 95.0 2.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.321 0.581 . . . . 62.350000000000001 111.272 -175.46 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -171.26 120.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.797 -0.638 . . . . 62.509999999999998 109.764 177.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.4 m -93.51 137.81 21.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.216 0.532 . . . . 73.310000000000002 112.12 -173.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.5 p -118.65 114.29 44.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.542 -0.754 . . . . 55.420000000000002 110.141 175.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -167.86 124.21 1.08 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.937 -0.574 . . . . 75.140000000000001 111.274 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -136.52 80.49 1.82 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.83 -0.804 . . . . 75.340000000000003 108.83 173.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 p -100.15 77.6 2.0 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.553 0.692 . . . . 62.119999999999997 111.775 -174.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.1 m -93.55 83.56 4.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.707 -0.678 . . . . 62.009999999999998 109.347 173.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.4 m -126.78 111.2 13.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.152 0.501 . . . . 71.310000000000002 111.737 -174.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -170.24 94.93 0.24 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.131 -0.94 . . . . 73.209999999999994 109.045 174.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.9 60.54 0.53 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.916 -0.659 . . . . 70.340000000000003 112.227 -175.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.7 p -126.67 128.09 46.18 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.951 -0.388 . . . . 64.230000000000004 109.951 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.68 89.78 3.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.97 0.414 . . . . 60.210000000000001 110.702 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.9 tp -165.99 130.99 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.295 -0.411 . . . . 64.150000000000006 110.56 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -147.78 104.9 3.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.054 -0.521 . . . . 45.140000000000001 110.318 175.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 pt -110.1 88.62 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.449 0.642 . . . . 60.020000000000003 110.111 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.15 -22.55 74.41 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.448 -0.796 . . . . 63.420000000000002 112.71 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t 48.55 -165.64 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.274 1.029 . . . . 71.409999999999997 112.658 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.8 m -113.67 155.27 14.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.68 -0.691 . . . . 63.210000000000001 109.882 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 59.5 mt -80.17 85.33 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.029 0.443 . . . . 74.109999999999999 110.076 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.01 -58.3 3.7 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.441 -0.577 . . . . 53.100000000000001 109.441 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.588 ' HA ' ' NE2' ' A' ' 87' ' ' GLN . 63.3 t30 66.96 109.69 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.062 -0.972 . . . . 64.120000000000005 113.379 169.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -147.96 -74.68 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.995 -0.548 . . . . 72.420000000000002 109.999 170.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -119.57 -174.53 2.76 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.347 -0.612 . . . . 71.430000000000007 109.347 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 76.8 m -111.48 -1.07 16.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.313 0.578 . . . . 74.120000000000005 109.955 173.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 61.1 m -114.95 120.33 39.55 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.473 -0.785 . . . . 72.230000000000004 110.635 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.593 ' HB2' ' HG3' ' A' ' 90' ' ' MET . 33.2 t -100.73 127.98 46.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.735 -0.469 . . . . 52.399999999999999 109.735 176.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -108.45 133.4 52.67 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.682 -0.488 . . . . 65.409999999999997 109.682 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -147.02 130.72 16.94 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.754 -0.657 . . . . 75.310000000000002 110.562 -174.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.635 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 71.8 p -135.07 131.11 36.59 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.134 -0.485 . . . . 64.319999999999993 110.112 175.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -130.22 142.97 50.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.127 -0.488 . . . . 73.409999999999997 109.975 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.439 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 60.4 m-85 -88.55 130.41 35.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.149 -0.478 . . . . 64.310000000000002 110.42 -178.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -123.85 170.75 10.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.038 -0.528 . . . . 75.310000000000002 109.998 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.449 ' O ' ' HA ' ' A' ' 75' ' ' GLN . . . -65.64 -59.45 3.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.031 0.443 . . . . 43.009999999999998 111.568 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.7 p -123.5 166.94 14.56 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.224 -0.444 . . . . 52.420000000000002 110.688 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 8.2 ppt_? -65.15 -22.53 66.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.112 0.482 . . . . 71.140000000000001 109.74 176.212 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.36 -46.45 88.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.381 -0.827 . . . . 70.0 110.202 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.11 -29.09 68.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.987 -1.006 . . . . 74.549999999999997 110.557 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -75.56 -43.08 50.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.882 -0.599 . . . . 64.209999999999994 110.624 -179.307 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 33.5 mt-10 -62.69 -40.67 97.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.905 -0.589 . . . . 71.129999999999995 109.711 176.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.6 m -64.36 -34.95 79.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.292 -0.867 . . . . 63.130000000000003 110.472 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.597 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 31.5 t80 -69.47 -50.58 44.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.233 -0.44 . . . . 74.420000000000002 109.915 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.518 ' HE2' HD11 ' A' ' 78' ' ' LEU . 38.6 tpp -56.43 -28.67 60.13 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.759 0.314 . . . . 71.140000000000001 111.387 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.5 m -57.0 -49.66 75.09 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.167 -0.47 . . . . 74.219999999999999 111.388 178.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 19.8 ptmt -73.07 -27.31 61.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.543 -0.299 . . . . 72.510000000000005 111.295 -177.01 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.69 -41.38 95.04 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 110.433 -0.21 . . . . 73.409999999999997 110.433 175.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.3 -41.11 98.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.985 0.421 . . . . 73.310000000000002 110.921 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -61.34 -48.27 82.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.709 -0.678 . . . . 54.420000000000002 110.343 177.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.5 mt -67.29 -42.0 84.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.214 -0.903 . . . . 74.019999999999996 111.695 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.18 -42.7 91.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.458 -0.337 . . . . 54.210000000000001 111.613 -176.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.92 -34.53 78.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 64.510000000000005 111.66 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.17 -33.73 22.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.498 -0.319 . . . . 65.099999999999994 111.747 -178.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.68 -51.24 10.13 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.318 0.488 . . . . 64.239999999999995 112.318 -175.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.72 ' HB3' ' HD1' ' A' ' 84' ' ' PHE . 80.3 p -93.45 169.02 10.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.048 0.452 . . . . 71.230000000000004 111.498 -173.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -90.48 10.32 25.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.491 -0.777 . . . . 63.310000000000002 110.305 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.24 98.24 9.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.763 -0.653 . . . . 64.239999999999995 109.357 176.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.91 -31.14 71.91 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.314 -0.857 . . . . 54.299999999999997 112.254 -171.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -98.89 9.99 42.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.402 0.62 . . . . 65.340000000000003 110.052 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.32 142.56 9.0 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.708 -0.678 . . . . 65.430000000000007 112.397 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.35 152.69 43.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.402 -0.222 . . . . 71.200000000000003 110.402 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.72 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 61.4 m -70.37 94.57 0.96 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.114 -0.494 . . . . 55.439999999999998 110.237 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 5.0 p -111.07 118.78 58.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.355 0.598 . . . . 63.210000000000001 111.586 -176.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.33 101.29 12.23 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.282 -1.007 . . . . 62.100000000000001 108.282 170.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 54.3 p90 -121.83 159.78 26.05 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.94 0.4 . . . . 62.509999999999998 111.649 -172.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.505 ' HG2' ' HB3' ' A' ' 79' ' ' ASP . 9.7 ptpp? -143.29 150.34 39.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.618 -0.719 . . . . 74.239999999999995 109.872 175.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.4 HG12 HD23 ' A' ' 78' ' ' LEU . 66.5 mt -112.13 105.38 18.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 108.685 -0.857 . . . . 65.140000000000001 108.685 173.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.785 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -101.43 114.37 28.31 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.194 -0.602 . . . . 51.450000000000003 110.632 -175.281 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.74 ' HA ' HG12 ' A' ' 76' ' ' VAL . 5.0 p-10 -69.88 127.04 31.52 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.811 -1.086 . . . . 73.409999999999997 109.593 176.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.3 mt -116.97 -170.51 1.85 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.441 -0.577 . . . . 74.140000000000001 109.441 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -90.67 99.64 12.63 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.796 0.332 . . . . 70.409999999999997 110.261 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.25 14.07 72.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.214 -0.517 . . . . 70.340000000000003 112.449 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.449 ' HA ' ' O ' ' A' ' 37' ' ' ALA . 14.2 pt20 -174.98 -179.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.455 -0.572 . . . . 64.549999999999997 109.455 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.74 HG12 ' HA ' ' A' ' 71' ' ' ASP . 27.8 m -142.2 156.41 19.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.957 -0.386 . . . . 42.520000000000003 109.957 176.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -111.51 118.57 36.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.052 0.453 . . . . 64.019999999999996 110.247 173.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.635 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -90.97 109.95 21.19 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.231 -1.026 . . . . 70.420000000000002 108.231 173.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.505 ' HB3' ' HG2' ' A' ' 68' ' ' LYS . 18.0 t70 -115.87 135.19 54.23 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.696 -0.684 . . . . 74.310000000000002 109.86 -175.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -149.05 140.01 22.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.99 0.424 . . . . 75.109999999999999 111.797 -177.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.502 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -115.69 109.22 17.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.777 -0.647 . . . . 71.349999999999994 109.882 173.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.526 ' O ' ' HA ' ' A' ' 29' ' ' THR . 71.6 m-85 -100.3 113.15 25.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.291 -0.413 . . . . 74.140000000000001 111.571 -176.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.72 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 57.9 m -94.76 115.41 27.47 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.763 -0.458 . . . . 71.040000000000006 109.763 173.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.72 ' HD1' ' HB3' ' A' ' 57' ' ' SER . 92.4 m-85 -97.61 -177.63 3.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.24 -0.437 . . . . 63.210000000000001 110.71 -178.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 p -104.0 -14.31 15.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.905 0.383 . . . . 53.119999999999997 111.227 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.7 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 27.2 m -137.94 157.82 45.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.47 -0.332 . . . . 53.049999999999997 110.14 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.588 ' NE2' ' HA ' ' A' ' 25' ' ' ASN . 56.2 tp60 -61.1 -49.97 75.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 73.219999999999999 110.937 177.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.568 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -56.57 -42.84 79.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.69 -0.686 . . . . 73.409999999999997 110.886 -176.015 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.7 ' HG3' ' HB2' ' A' ' 86' ' ' CYS . 77.4 mt-10 -56.54 -29.94 62.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 71.099999999999994 111.501 -176.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.593 ' HG3' ' HB2' ' A' ' 30' ' ' SER . 52.4 ttp -73.96 -58.52 3.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.077 0.465 . . . . 63.340000000000003 110.457 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.422 ' H ' HG12 ' A' ' 91' ' ' ILE . 1.5 pt -68.4 -32.93 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 112.872 0.693 . . . . 63.210000000000001 112.872 -175.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.568 HG12 ' O ' ' A' ' 88' ' ' ALA . 35.9 pt -70.25 -30.48 43.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 120.563 -0.455 . . . . 73.409999999999997 109.93 176.171 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.603 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 46.4 t80 -64.49 -47.37 79.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.819 -0.628 . . . . 61.219999999999999 109.884 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 90' ' ' MET . 8.0 mt-10 -58.71 -41.79 87.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.712 -0.676 . . . . 72.420000000000002 110.19 178.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.17 -47.16 77.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.019 -0.537 . . . . 72.239999999999995 110.937 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -52.36 -41.8 63.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.44 -0.345 . . . . 74.129999999999995 111.163 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 82.4 mt -57.36 -47.7 80.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.315 0.578 . . . . 74.519999999999996 110.854 178.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -77.31 -33.23 55.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.265 -0.88 . . . . 74.420000000000002 111.474 -174.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 m -78.74 -35.32 44.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.451 -0.341 . . . . 62.140000000000001 111.298 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 40.8 tp -70.04 -18.42 63.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.918 0.389 . . . . 74.540000000000006 110.76 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.18 -23.09 63.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.931 -0.577 . . . . 63.039999999999999 109.989 175.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 91.9 mt 64.39 -66.06 0.13 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.12 0.968 . . . . 62.310000000000002 112.735 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.0 -39.3 77.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.897 -0.592 . . . . 72.200000000000003 112.042 -174.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 42.3 m80 70.55 136.18 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.795 0.685 . . . . 51.5 110.928 -177.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -141.56 -65.66 0.42 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.59 -0.522 . . . . 75.219999999999999 109.59 177.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -83.98 112.06 19.83 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.583 -0.895 . . . . 72.530000000000001 108.583 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -79.66 115.06 19.05 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.284 0.846 . . . . 73.109999999999999 113.284 -167.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 70.02 11.4 7.65 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.454 -1.248 . . . . 75.540000000000006 113.254 166.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.9 m170 . . . . . 0 C--O 1.243 0.738 0 CA-C-O 118.353 -0.832 . . . . 64.040000000000006 110.174 176.564 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 . . . . . 0 C--O 1.234 0.239 0 CA-C-O 121.57 0.7 . . . . 63.530000000000001 111.779 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 p -120.8 -14.7 8.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.651 -1.159 . . . . 73.219999999999999 108.688 169.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 97.9 m -98.28 119.22 36.57 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.148 -0.933 . . . . 43.409999999999997 109.595 173.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.6 t -97.78 148.53 23.29 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.904 -0.406 . . . . 70.439999999999998 109.904 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -122.64 113.24 18.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.915 -0.772 . . . . 72.540000000000006 108.915 -178.698 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.566 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 92.9 t80 -103.87 116.36 32.14 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.669 -0.696 . . . . 75.209999999999994 110.45 -176.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 1.3 p -114.2 135.22 54.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.0 -0.546 . . . . 74.319999999999993 111.585 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.69 147.42 31.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.147 -0.933 . . . . 74.519999999999996 109.253 174.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.4 ' CE1' ' HG2' ' A' ' 77' ' ' GLU . 34.5 m-85 -108.59 124.74 50.95 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.774 -0.454 . . . . 73.010000000000005 109.774 -178.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.477 ' HB3' ' CB ' ' A' ' 41' ' ' GLU . 94.8 m-85 -119.91 166.07 13.8 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.123 -0.49 . . . . 64.140000000000001 110.071 -177.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.0 -30.29 50.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.202 0.314 . . . . 41.43 111.504 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.9 p -131.12 155.5 46.87 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 121.058 -0.257 . . . . 51.009999999999998 110.437 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -62.6 -26.39 68.58 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.723 -0.473 . . . . 74.040000000000006 109.723 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -58.97 -53.43 58.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.675 -0.693 . . . . 74.310000000000002 110.428 173.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' CB ' ' HB3' ' A' ' 36' ' ' PHE . 16.1 mm-40 -52.71 -34.04 50.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.621 -0.718 . . . . 55.229999999999997 111.055 177.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.95 -51.97 28.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.908 -0.587 . . . . 54.43 110.879 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.67 -23.93 61.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 111.584 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.7 m -71.07 -34.11 70.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.862 0.363 . . . . 64.540000000000006 110.275 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.401 ' O ' HD23 ' A' ' 49' ' ' LEU . 5.3 t80 -76.7 -27.31 55.45 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.651 -0.5 . . . . 72.540000000000006 109.651 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.408 ' HE2' HD11 ' A' ' 78' ' ' LEU . 42.1 tpp -60.57 -32.91 71.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.738 -0.664 . . . . 73.329999999999998 110.647 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.438 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 38.4 m -54.73 -53.6 52.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.002 -0.544 . . . . 73.299999999999997 111.177 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.509 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 14.0 ptmt -70.74 -26.82 63.54 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.81 -0.356 . . . . 74.5 111.485 -177.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.0 mm? -62.25 -41.99 98.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.291 -0.263 . . . . 74.230000000000004 110.291 172.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.559 ' HE2' HG11 ' A' ' 65' ' ' VAL . 25.9 mmtp -63.1 -41.12 99.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.596 0.236 . . . . 75.420000000000002 111.016 175.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.509 ' OE1' ' HA ' ' A' ' 48' ' ' LYS . 43.9 mt-10 -59.07 -44.42 91.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.137 0.494 . . . . 71.109999999999999 109.989 177.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.539 HD21 HD22 ' A' ' 100' ' ' LEU . 65.1 mt -70.67 -37.47 73.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.485 -0.779 . . . . 74.109999999999999 111.644 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.95 87.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.413 -0.358 . . . . 41.109999999999999 111.115 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.35 -30.39 71.22 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.306 -0.406 . . . . 50.039999999999999 111.468 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.09 -46.12 24.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.357 -0.383 . . . . 44.340000000000003 110.775 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.75 -50.79 47.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.067 -0.515 . . . . 63.509999999999998 111.339 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.5 p -114.36 120.61 40.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.911 -0.586 . . . . 63.109999999999999 110.07 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 m -71.71 -84.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.381 -0.372 . . . . 72.140000000000001 110.346 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 54.16 -164.97 0.1 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.948 0.88 . . . . 62.0 111.376 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.57 -50.37 11.67 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.689 -1.142 . . . . 61.340000000000003 110.005 175.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -130.0 17.56 5.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.853 -0.612 . . . . 73.420000000000002 110.719 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.35 -176.78 38.89 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.876 -0.678 . . . . 65.329999999999998 112.054 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' A' ' 83' ' ' THR . . . -67.5 167.87 11.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.884 0.373 . . . . 75.349999999999994 111.204 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.772 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 23.3 m -72.6 140.5 48.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.135 -0.484 . . . . 73.219999999999999 110.139 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.559 HG11 ' HE2' ' A' ' 50' ' ' LYS . 4.7 p -135.88 116.46 18.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.569 0.7 . . . . 64.299999999999997 111.368 -176.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.23 106.96 13.86 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.496 -0.775 . . . . 63.039999999999999 109.119 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.521 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 46.0 p90 -101.11 147.55 26.1 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.087 0.47 . . . . 73.439999999999998 111.69 -171.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.569 ' HD2' ' HB3' ' A' ' 79' ' ' ASP . 77.7 mttt -106.58 138.96 41.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.564 -0.744 . . . . 75.439999999999998 109.958 173.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.1 mt -134.82 103.67 4.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 114.897 -1.047 . . . . 72.140000000000001 109.006 172.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.67 ' HE3' HD21 ' A' ' 72' ' ' LEU . 63.3 tttp -105.06 119.12 38.24 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.103 0.478 . . . . 72.099999999999994 110.111 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.45 96.11 7.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.97 -1.014 . . . . 74.319999999999993 109.29 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.67 HD21 ' HE3' ' A' ' 70' ' ' LYS . 96.9 mt -96.17 -176.05 3.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.174 0.512 . . . . 75.230000000000004 111.025 -177.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.84 97.22 10.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.827 -0.624 . . . . 74.099999999999994 110.4 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.07 -15.95 57.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.627 -0.797 . . . . 71.129999999999995 112.588 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.493 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 14.5 pt20 -152.6 176.26 11.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.74 0.305 . . . . 73.129999999999995 110.206 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.7 m -138.15 154.46 28.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.191 -0.458 . . . . 51.299999999999997 110.368 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 70' ' ' LYS . 89.0 mt-10 -102.72 114.98 29.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.198 -0.455 . . . . 61.109999999999999 110.483 175.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.548 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -104.34 111.08 23.57 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.282 -1.007 . . . . 73.450000000000003 108.282 173.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.569 ' HB3' ' HD2' ' A' ' 68' ' ' LYS . 37.8 t70 -133.73 103.1 5.72 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.935 -0.575 . . . . 71.329999999999998 109.811 -177.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.521 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -102.95 124.52 48.61 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.19 -0.459 . . . . 62.420000000000002 111.276 -175.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.35 113.68 25.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.802 -0.635 . . . . 74.430000000000007 110.389 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.502 ' O ' ' HA ' ' A' ' 29' ' ' THR . 79.3 m-85 -103.02 112.77 25.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.854 -0.612 . . . . 65.219999999999999 110.723 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.772 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 86.0 m -90.15 104.36 16.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.162 -0.472 . . . . 63.130000000000003 110.33 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.481 ' HB3' ' HG3' ' A' ' 89' ' ' GLU . 96.5 m-85 -91.34 167.45 12.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.932 -0.576 . . . . 63.140000000000001 110.198 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -92.17 -28.72 16.89 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.426 0.632 . . . . 75.030000000000001 109.548 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.636 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 4.0 m -122.85 163.04 21.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.644 -0.707 . . . . 64.319999999999993 109.546 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.549 ' O ' HG12 ' A' ' 91' ' ' ILE . 24.4 tt0 -81.88 -32.56 30.99 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.713 -0.395 . . . . 72.340000000000003 109.941 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.81 -50.02 69.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.751 -0.659 . . . . 60.140000000000001 111.004 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.636 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 7.0 pt-20 -67.67 -25.84 65.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.455 . . . . 73.409999999999997 111.367 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.5 tmm? -73.24 -53.62 10.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.815 0.34 . . . . 60.149999999999999 110.619 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.634 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 19.5 pt -63.75 -40.92 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.166 0.432 . . . . 61.450000000000003 112.166 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 pp -66.32 -29.03 45.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 120.983 0.42 . . . . 73.109999999999999 110.685 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.556 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 75.8 t80 -62.63 -48.29 80.02 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.492 -0.559 . . . . 64.409999999999997 109.492 174.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -56.66 -41.62 77.54 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.987 -0.551 . . . . 73.230000000000004 111.091 174.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 42.6 mt -61.66 -52.37 64.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.074 -0.512 . . . . 74.109999999999999 110.192 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.4 m -53.69 -41.48 66.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.66 -0.7 . . . . 43.130000000000003 111.364 175.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 93.7 mt -58.87 -46.76 87.01 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.936 0.398 . . . . 65.299999999999997 110.548 177.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -64.26 -29.9 70.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.703 -0.68 . . . . 74.329999999999998 111.408 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.3 t -80.64 -42.99 21.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.077 -0.51 . . . . 74.239999999999995 111.31 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.539 HD22 HD21 ' A' ' 52' ' ' LEU . 15.6 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 72.25 111.64 -173.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 121.283 0.563 . . . . 74.140000000000001 111.454 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 p -96.45 -6.03 38.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.348 0.594 . . . . 71.239999999999995 110.043 175.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 85.3 m -109.52 128.36 55.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.321 -0.854 . . . . 73.25 109.956 176.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 t -97.65 117.55 32.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.273 -0.421 . . . . 61.25 110.259 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -101.15 113.34 26.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.887 -0.597 . . . . 73.310000000000002 110.231 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -116.56 121.56 42.12 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.815 -0.629 . . . . 74.219999999999999 110.213 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.9 p -127.38 122.46 33.71 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.248 0.547 . . . . 63.130000000000003 111.275 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.493 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -141.2 144.75 34.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.88 -0.6 . . . . 74.439999999999998 110.321 178.65 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 70.2 m-85 -104.99 130.08 53.28 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.297 -0.41 . . . . 72.420000000000002 110.179 -178.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -126.37 -174.64 3.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.776 -0.647 . . . . 75.420000000000002 109.734 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.496 ' HB3' ' HG3' ' A' ' 41' ' ' GLU . . . -76.42 -70.5 0.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.871 0.367 . . . . 51.119999999999997 111.809 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.7 p -111.1 166.71 10.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.784 0.326 . . . . 61.409999999999997 111.076 -174.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -57.29 -28.2 62.82 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.181 0.515 . . . . 73.519999999999996 110.381 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.42 -42.52 78.81 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.653 -0.703 . . . . 61.439999999999998 110.521 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.496 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 10.8 mm-40 -55.18 -33.37 62.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.353 -0.839 . . . . 71.040000000000006 110.339 175.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.708 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -74.92 -48.63 23.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.399 -0.818 . . . . 54.409999999999997 110.451 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -56.64 -43.22 80.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.799 -0.637 . . . . 71.209999999999994 110.693 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.0 m -65.22 -30.9 71.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.636 -0.711 . . . . 74.140000000000001 111.595 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.494 ' O ' HD23 ' A' ' 49' ' ' LEU . 34.1 t80 -79.62 -34.27 40.74 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 120.383 -0.527 . . . . 75.200000000000003 109.706 -177.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.511 ' HG3' ' HE3' ' A' ' 50' ' ' LYS . 40.4 tpp -67.59 -24.75 65.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.987 -0.551 . . . . 73.209999999999994 110.84 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 39.6 m -57.39 -46.53 83.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.331 -0.395 . . . . 55.310000000000002 111.882 -178.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -70.78 -27.7 64.11 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.758 -0.377 . . . . 70.530000000000001 111.087 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.662 HD12 ' HZ ' ' A' ' 93' ' ' PHE . 4.5 mm? -65.92 -29.81 70.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.354 . . . . 73.409999999999997 110.599 176.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.511 ' HE3' ' HG3' ' A' ' 46' ' ' MET . 2.2 mptm? -59.15 -49.38 78.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.355 -0.384 . . . . 65.219999999999999 110.773 176.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -60.81 -45.37 94.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 71.439999999999998 110.4 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.99 -47.15 78.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.313 -0.858 . . . . 75.129999999999995 111.316 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.56 78.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.747 0.308 . . . . 61.329999999999998 111.467 -177.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.41 -33.37 74.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.323 -0.399 . . . . 64.530000000000001 111.135 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.28 -30.63 23.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.252 -0.431 . . . . 64.299999999999997 111.288 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.09 -2.58 52.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 74.310000000000002 112.084 -175.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.5 p -111.49 103.07 11.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.499 0.666 . . . . 74.400000000000006 110.59 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.7 m -103.08 -6.7 22.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.66 -0.7 . . . . 61.229999999999997 110.49 -178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.74 83.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.551 . . . . 65.209999999999994 110.12 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 27.8 t70 -177.1 -87.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.6 -0.727 . . . . 72.329999999999998 109.818 175.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 27.5 mt-10 -161.44 7.32 0.07 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.303 -0.862 . . . . 73.120000000000005 108.882 176.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.34 60.42 4.71 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.14 -0.936 . . . . 72.549999999999997 112.686 -174.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.28 123.58 43.68 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.063 -0.717 . . . . 75.209999999999994 109.063 174.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.55 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 68.0 m -98.58 100.52 11.76 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 120.845 0.355 . . . . 71.430000000000007 110.636 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 p -100.5 115.89 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-O 121.595 0.712 . . . . 41.149999999999999 110.392 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.24 96.25 5.7 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.175 -0.92 . . . . 72.430000000000007 109.45 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.544 ' HA ' ' O ' ' A' ' 79' ' ' ASP . 15.9 p90 -117.78 139.51 50.97 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.612 -0.435 . . . . 72.25 110.54 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.849 ' HG2' ' HB3' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -115.91 154.08 30.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.849 -0.614 . . . . 64.120000000000005 109.57 176.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 64.7 mt -112.73 103.92 16.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 N-CA-C 108.901 -0.777 . . . . 73.420000000000002 108.901 172.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.809 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 22.2 tptm -80.85 103.04 10.41 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.395 0.617 . . . . 75.299999999999997 109.946 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.515 ' HA ' HG12 ' A' ' 76' ' ' VAL . 17.3 t70 -78.98 108.54 12.54 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.563 -1.199 . . . . 71.450000000000003 110.105 -176.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 28.8 mt -119.05 171.51 8.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.046 -0.524 . . . . 65.140000000000001 109.633 177.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -84.93 106.24 16.29 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.715 -0.675 . . . . 72.450000000000003 110.714 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.34 -10.2 61.31 Favored Glycine 0 C--O 1.237 0.312 0 C-N-CA 121.127 -0.559 . . . . 65.140000000000001 112.847 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.494 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 12.3 pt20 -167.45 165.66 14.72 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.231 -0.285 . . . . 75.010000000000005 110.231 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 71' ' ' ASP . 28.2 m -136.72 154.66 32.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.651 -0.25 . . . . 70.200000000000003 110.386 178.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.809 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 37.0 tt0 -105.73 115.08 29.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.056 -0.52 . . . . 72.310000000000002 110.13 175.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.708 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.1 tm? -90.36 109.78 20.88 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.977 -1.12 . . . . 65.040000000000006 107.977 173.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.849 ' HB3' ' HG2' ' A' ' 68' ' ' LYS . 11.7 t70 -115.63 108.86 16.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.57 -0.741 . . . . 73.439999999999998 110.082 -173.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.68 141.34 47.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.174 0.511 . . . . 71.319999999999993 111.984 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -130.79 109.74 10.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.588 -0.733 . . . . 54.539999999999999 109.85 174.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 29' ' ' THR . 88.6 m-85 -103.61 111.62 24.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.575 -0.284 . . . . 74.239999999999995 110.691 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.55 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 90.4 m -102.75 115.12 29.96 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.797 0.332 . . . . 60.310000000000002 110.202 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -100.76 160.51 14.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.29 -0.413 . . . . 74.400000000000006 110.858 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -66.72 -36.15 81.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.936 -0.575 . . . . 74.140000000000001 110.565 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.728 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 33.8 m -118.91 148.71 42.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.819 -0.628 . . . . 71.439999999999998 109.631 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.437 ' O ' HG12 ' A' ' 91' ' ' ILE . 52.6 tt0 -69.08 -28.96 66.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.941 0.4 . . . . 64.25 110.081 176.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.483 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.39 -41.04 72.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.635 -0.711 . . . . 73.150000000000006 111.032 177.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.728 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 1.6 mm-40 -64.39 -32.02 73.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.534 . . . . 64.099999999999994 110.353 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.401 ' O ' ' HB3' ' A' ' 93' ' ' PHE . 8.5 tmm? -71.6 -51.03 25.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 62.409999999999997 110.299 -177.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.556 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.4 pt -66.13 -38.25 81.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.29 0.478 . . . . 65.329999999999998 112.29 -176.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 88' ' ' ALA . 30.8 pt -67.06 -29.46 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 O-C-N 121.887 -0.508 . . . . 73.319999999999993 110.106 176.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.662 ' HZ ' HD12 ' A' ' 49' ' ' LEU . 88.0 t80 -69.22 -51.24 39.73 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.537 -0.756 . . . . 74.25 110.902 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -67.75 -32.86 73.75 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 111.774 0.287 . . . . 74.430000000000007 111.774 -177.042 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 88.2 mt -61.43 -49.79 75.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.014 0.435 . . . . 71.540000000000006 110.358 174.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.9 m -57.93 -32.29 67.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.475 -0.784 . . . . 53.240000000000002 111.669 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 87.0 mt -62.7 -47.69 82.52 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.009 0.433 . . . . 71.450000000000003 110.896 178.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -70.22 -37.39 75.01 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.721 -0.672 . . . . 75.239999999999995 111.274 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.9 m -79.4 9.17 5.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.953 0.406 . . . . 63.5 111.439 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.6 tp . . . . . 0 C--N 1.324 -0.543 0 CA-C-O 120.945 0.402 . . . . 55.109999999999999 110.858 -177.712 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 . . . . . 0 CA--C 1.518 -0.265 0 N-CA-C 109.248 -0.649 . . . . 62.329999999999998 109.248 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 63.1 m -100.68 11.75 38.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.987 0.898 . . . . 64.230000000000004 109.112 172.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.8 m -127.83 130.84 49.3 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.172 -1.376 . . . . 73.140000000000001 108.867 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.2 t -97.77 113.27 25.01 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.01 0.433 . . . . 65.129999999999995 110.628 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -98.06 112.68 24.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.688 -0.687 . . . . 65.25 109.444 173.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -123.72 118.03 26.29 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.177 -0.465 . . . . 71.319999999999993 110.15 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.4 m -117.44 131.55 56.73 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.204 0.526 . . . . 63.399999999999999 110.58 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.585 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 2.9 mmp_? -134.21 150.35 51.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.79 -0.641 . . . . 55.219999999999999 110.602 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -107.46 132.29 53.37 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.797 -0.445 . . . . 74.140000000000001 109.797 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.423 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 73.4 m-85 -127.84 171.51 11.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.316 -0.402 . . . . 74.329999999999998 110.32 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.42 -54.55 13.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.821 0.344 . . . . 62.229999999999997 111.31 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.2 p -128.16 167.47 16.77 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 121.05 -0.26 . . . . 72.420000000000002 110.517 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -60.34 -25.63 65.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.175 0.512 . . . . 71.129999999999995 110.097 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -61.45 -51.04 70.33 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.352 -0.84 . . . . 75.540000000000006 110.338 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.423 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 6.0 mm-40 -55.62 -31.2 62.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.92 -1.036 . . . . 72.439999999999998 110.753 178.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.63 -52.79 9.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.455 -0.793 . . . . 75.239999999999995 111.392 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.48 -33.93 75.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.319 -0.401 . . . . 72.540000000000006 111.1 -177.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.8 m -62.94 -28.24 69.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.992 0.425 . . . . 71.299999999999997 111.07 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.552 ' O ' HD23 ' A' ' 49' ' ' LEU . 74.0 t80 -79.96 -36.57 35.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 51.549999999999997 110.59 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 42.1 tpp -71.06 -29.62 65.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.127 -0.488 . . . . 74.400000000000006 111.924 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.68 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 28.1 m -53.79 -51.81 62.27 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.935 0.346 . . . . 65.209999999999994 111.935 -177.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -73.58 -28.12 61.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.809 0.338 . . . . 51.109999999999999 111.243 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 45' ' ' PHE . 3.8 mm? -62.86 -36.89 84.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.385 -0.37 . . . . 64.040000000000006 110.644 176.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.68 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 32.9 mttt -58.03 -42.91 86.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 63.149999999999999 110.962 176.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -68.28 -45.48 72.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 73.310000000000002 110.141 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.24 -38.34 88.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.654 -0.703 . . . . 63.350000000000001 111.138 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.47 -33.05 73.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 64.310000000000002 111.492 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.802 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . . . -70.47 -45.29 66.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.908 0.385 . . . . 63.25 110.787 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.94 82.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.782 -0.645 . . . . 65.040000000000006 111.716 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.91 -13.11 48.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.986 0.365 . . . . 63.109999999999999 111.986 -176.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 82.3 p -74.17 139.68 44.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.115 0.483 . . . . 74.340000000000003 110.884 -177.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.55 -26.66 68.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.571 -0.741 . . . . 41.210000000000001 111.152 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 61' ' ' GLU . . . -92.18 -1.73 56.97 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.464 0.542 . . . . 73.010000000000005 112.464 -173.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.32 -26.02 0.16 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.192 0.812 . . . . 72.120000000000005 113.192 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 59' ' ' ALA . 9.6 mm-40 -66.55 -56.37 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.335 0.588 . . . . 71.540000000000006 110.482 177.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.802 ' HA2' ' HA ' ' A' ' 54' ' ' ALA . . . 163.74 159.39 10.72 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 115.191 -0.913 . . . . 45.549999999999997 110.915 -177.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -87.01 153.7 21.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.807 0.304 . . . . 74.140000000000001 110.487 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.844 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 19.8 m -65.55 97.93 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.242 -0.436 . . . . 74.420000000000002 109.836 176.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.461 HG22 ' HD2' ' A' ' 67' ' ' TYR . 4.3 p -103.22 116.94 47.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.516 0.674 . . . . 74.5 111.084 -177.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.14 100.82 9.15 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.445 -0.798 . . . . 61.219999999999999 109.0 172.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.461 ' HD2' HG22 ' A' ' 65' ' ' VAL . 44.0 p90 -112.68 143.4 43.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.915 0.388 . . . . 74.010000000000005 111.132 -175.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -135.02 154.08 51.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.75 -0.659 . . . . 71.129999999999995 110.584 175.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.9 mt -132.15 114.47 24.01 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.098 -0.955 . . . . 73.019999999999996 109.931 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -104.15 119.67 39.46 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.265 -0.425 . . . . 63.409999999999997 110.301 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.545 ' HA ' HG12 ' A' ' 76' ' ' VAL . 8.1 m-20 -80.02 118.42 21.73 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.539 -0.755 . . . . 72.439999999999998 109.91 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.3 mt -111.24 -175.26 2.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.374 -0.375 . . . . 74.239999999999995 110.083 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -90.79 100.52 13.36 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.904 0.383 . . . . 73.439999999999998 110.496 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.66 -16.85 57.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.067 -0.587 . . . . 52.109999999999999 112.211 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -154.35 177.04 11.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.893 -0.41 . . . . 74.319999999999993 109.893 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' ' 71' ' ' ASP . 35.8 m -137.21 159.92 35.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 110.416 -0.216 . . . . 73.439999999999998 110.416 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -112.45 115.36 28.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.948 0.404 . . . . 74.340000000000003 110.503 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -93.41 115.94 28.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.237 -1.023 . . . . 65.049999999999997 108.237 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -116.23 117.75 30.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.01 -0.541 . . . . 72.230000000000004 110.412 -175.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.24 146.61 41.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.067 0.461 . . . . 65.099999999999994 111.551 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -142.6 106.28 4.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.647 -0.706 . . . . 73.129999999999995 109.827 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -109.58 112.31 24.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.419 -0.355 . . . . 75.040000000000006 110.741 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.844 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 19.3 m -94.4 108.71 20.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.236 -0.438 . . . . 72.420000000000002 110.364 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.59 ' HB3' ' HB3' ' A' ' 89' ' ' GLU . 97.4 m-85 -99.31 -13.52 19.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 72.219999999999999 110.611 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 m 74.98 -33.42 0.24 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.526 -1.215 . . . . 52.130000000000003 111.527 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 59.9 m -105.33 149.4 26.1 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.433 -0.581 . . . . 60.140000000000001 109.433 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.526 ' O ' HG12 ' A' ' 91' ' ' ILE . 17.0 tt0 -77.1 -31.75 56.13 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.193 -0.203 . . . . 74.129999999999995 111.259 -177.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.82 71.73 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.624 -0.51 . . . . 73.219999999999999 109.624 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.59 ' HB3' ' HB3' ' A' ' 84' ' ' PHE . 0.4 OUTLIER -54.55 -29.94 52.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.583 -0.735 . . . . 74.040000000000006 111.867 173.663 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.421 ' HE3' ' HB3' ' A' ' 90' ' ' MET . 15.7 tmm? -75.38 -49.92 17.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.545 -0.298 . . . . 73.319999999999993 110.735 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 87' ' ' GLN . 12.3 pt -70.39 -34.21 57.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 112.289 0.477 . . . . 60.049999999999997 112.289 -176.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.5 pt -65.92 -30.72 50.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.231 0.539 . . . . 73.230000000000004 110.073 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.641 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 34.4 t80 -69.2 -44.95 71.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.727 -0.67 . . . . 74.209999999999994 109.411 175.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 71.4 mm-40 -55.95 -52.73 63.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.622 -0.717 . . . . 74.409999999999997 111.28 176.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.0 mt -55.1 -42.15 72.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.325 -0.398 . . . . 72.549999999999997 111.08 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.8 m -63.53 -47.56 81.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 72.129999999999995 111.14 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 58.3 mt -62.03 -48.49 80.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.128 0.489 . . . . 73.430000000000007 111.239 -178.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 94' ' ' GLU . 87.9 mtt180 -67.53 -37.45 82.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.625 -0.716 . . . . 75.430000000000007 111.33 -171.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.6 m -75.22 -30.93 60.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.969 0.414 . . . . 60.119999999999997 111.075 -178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.9 tp . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 121.083 0.468 . . . . 72.030000000000001 110.698 -178.312 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 . . . . . 0 CA--C 1.518 -0.26 0 N-CA-C 108.78 -0.822 . . . . 74.219999999999999 108.78 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 66.4 m -100.43 9.8 42.1 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.199 0.523 . . . . 70.140000000000001 109.635 176.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 12.3 m -98.43 121.13 39.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.658 -0.701 . . . . 54.009999999999998 110.719 -178.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.471 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 16.5 m -98.13 113.72 25.71 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.785 -0.643 . . . . 73.120000000000005 110.053 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 14.8 mmmt -103.07 130.03 50.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.811 -0.631 . . . . 73.150000000000006 111.69 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.42 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 51.9 t80 -133.05 120.46 21.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.464 -0.569 . . . . 72.329999999999998 109.464 170.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -126.76 119.44 26.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.458 -0.337 . . . . 72.519999999999996 110.681 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -146.74 145.45 29.97 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.476 -0.194 . . . . 73.329999999999998 110.476 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -85.14 141.94 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.934 -0.395 . . . . 72.409999999999997 109.934 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.439 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 81.1 m-85 -128.44 159.75 34.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.261 -0.427 . . . . 61.219999999999999 110.526 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.28 96.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 51.549999999999997 111.511 -176.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.7 p -136.47 160.39 38.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.511 -0.313 . . . . 74.219999999999999 110.195 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.527 ' HG3' HG21 ' A' ' 69' ' ' ILE . 69.1 ttt180 -59.67 -31.78 69.87 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.942 0.401 . . . . 72.329999999999998 109.934 174.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -54.86 -47.11 74.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.74 -0.664 . . . . 64.540000000000006 110.715 175.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.439 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 21.8 mm-40 -57.72 -30.64 65.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.421 -0.809 . . . . 62.229999999999997 110.993 177.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.477 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -75.85 -44.63 39.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.917 -0.583 . . . . 75.549999999999997 110.375 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 69.9 mm-40 -59.96 -45.0 94.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.786 -0.643 . . . . 63.420000000000002 110.059 177.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.3 m -66.32 -28.22 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.573 -0.74 . . . . 62.140000000000001 111.698 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.567 ' O ' HD23 ' A' ' 49' ' ' LEU . 50.3 t80 -74.09 -35.38 64.19 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.145 0.497 . . . . 71.239999999999995 109.762 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 35.2 tpp -67.9 -24.34 65.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.554 -0.748 . . . . 63.020000000000003 111.268 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.708 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 3.0 m -56.41 -49.35 74.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.286 -0.415 . . . . 51.140000000000001 111.556 -177.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -71.68 -29.88 65.08 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.682 -0.407 . . . . 65.420000000000002 110.714 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.1 mm? -61.03 -40.3 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 71.230000000000004 110.539 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.708 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 22.9 mttm -54.01 -51.09 65.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.697 -0.683 . . . . 74.040000000000006 111.682 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -69.6 -42.22 74.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.028 0.442 . . . . 74.239999999999995 111.319 -178.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.73 -41.69 99.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.769 -0.65 . . . . 74.340000000000003 111.584 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.83 94.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 62.140000000000001 111.149 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.46 91.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.985 -0.552 . . . . 75.209999999999994 111.025 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.53 -39.02 77.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 74.510000000000005 111.504 -177.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.519 ' HB1' HD11 ' A' ' 92' ' ' ILE . . . -58.45 -46.27 86.88 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.261 -0.427 . . . . 54.409999999999997 111.416 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.676 ' HB3' ' HA2' ' A' ' 62' ' ' GLY . 34.3 t -86.86 -36.99 18.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.27 -0.423 . . . . 71.340000000000003 111.348 -177.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m 66.08 6.07 3.92 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.687 -0.688 . . . . 43.119999999999997 111.701 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.85 38.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.511 -0.313 . . . . 71.310000000000002 111.05 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 66.11 -74.29 0.06 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.365 0.666 . . . . 63.229999999999997 111.713 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.25 -38.55 90.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.098 0.475 . . . . 71.510000000000005 110.303 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.676 ' HA2' ' HB3' ' A' ' 57' ' ' SER . . . 87.23 -93.63 1.9 Allowed Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.846 -0.693 . . . . 53.299999999999997 112.174 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.33 146.16 30.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.489 0.185 . . . . 45.009999999999998 110.773 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.7 m -73.54 123.15 23.4 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.365 -0.605 . . . . 63.509999999999998 109.365 173.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.629 HG22 ' HD2' ' A' ' 67' ' ' TYR . 4.6 p -102.35 116.64 46.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.643 0.735 . . . . 73.299999999999997 111.379 -175.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.66 96.85 6.2 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.377 -0.829 . . . . 73.109999999999999 109.046 172.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.629 ' HD2' HG22 ' A' ' 65' ' ' VAL . 48.8 p90 -109.71 132.68 53.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.271 0.558 . . . . 72.239999999999995 111.203 -175.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -109.06 134.99 50.95 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.524 -0.762 . . . . 61.119999999999997 110.293 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.527 HG21 ' HG3' ' A' ' 39' ' ' ARG . 60.1 mt -131.58 104.31 8.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 CA-C-N 114.989 -1.005 . . . . 65.140000000000001 108.936 177.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -98.53 117.63 33.41 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.556 -0.458 . . . . 63.329999999999998 110.29 -176.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.72 ' HA ' HG12 ' A' ' 76' ' ' VAL . 15.9 m-20 -72.32 102.12 3.05 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.148 -0.933 . . . . 64.209999999999994 109.383 177.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 31.2 mt -95.51 -172.59 2.67 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.967 -0.561 . . . . 74.140000000000001 109.502 -178.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -93.87 98.67 11.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.085 0.469 . . . . 62.549999999999997 110.349 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.44 -4.11 61.84 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.801 -0.714 . . . . 42.240000000000002 112.82 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 10.7 pt20 -168.6 179.13 4.42 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.987 -0.375 . . . . 70.239999999999995 109.987 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.72 HG12 ' HA ' ' A' ' 71' ' ' ASP . 34.3 m -139.43 163.09 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.577 0.227 . . . . 72.010000000000005 110.413 176.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -114.53 122.81 47.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.489 -0.323 . . . . 71.430000000000007 110.169 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.515 HD23 HG12 ' A' ' 69' ' ' ILE . 3.4 tm? -100.55 116.67 33.04 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.857 -0.794 . . . . 72.040000000000006 108.857 176.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.42 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 25.2 t70 -128.97 110.07 11.76 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.885 -0.598 . . . . 64.109999999999999 110.257 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -110.52 124.52 51.97 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.052 -0.522 . . . . 64.530000000000001 111.118 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 30' ' ' SER . . . -117.97 108.51 15.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.529 . . . . 73.310000000000002 110.622 176.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.449 ' CE1' HD12 ' A' ' 49' ' ' LEU . 54.8 m-85 -99.37 131.15 45.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.231 -0.44 . . . . 62.409999999999997 110.667 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.9 m -96.15 104.97 16.95 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.108 -0.33 . . . . 62.109999999999999 110.108 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -92.1 -177.75 4.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 70.510000000000005 110.873 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 88.6 p -102.43 -31.9 10.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.208 0.528 . . . . 71.329999999999998 110.919 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.671 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 15.8 m -119.68 150.49 40.27 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.002 -0.544 . . . . 74.519999999999996 109.867 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.437 ' O ' HG12 ' A' ' 91' ' ' ILE . 53.0 tp60 -62.09 -40.89 97.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.091 0.472 . . . . 75.349999999999994 110.364 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.31 -37.03 66.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.515 -0.766 . . . . 64.049999999999997 111.139 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.671 ' HG3' ' HB2' ' A' ' 86' ' ' CYS . 47.2 mt-10 -65.52 -32.15 73.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 65.120000000000005 110.802 -177.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.2 ttt -68.74 -54.48 15.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.28 0.562 . . . . 62.140000000000001 110.76 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 87' ' ' GLN . 1.4 pt -67.74 -32.85 58.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.547 -0.751 . . . . 74.519999999999996 112.718 -174.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.519 HD11 ' HB1' ' A' ' 56' ' ' ALA . 2.6 pp -73.43 -30.74 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.305 -0.558 . . . . 70.310000000000002 110.708 175.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.677 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 39.9 t80 -70.16 -51.73 29.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.88 -0.6 . . . . 72.129999999999995 110.863 -176.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -59.98 -41.66 92.48 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.822 0.344 . . . . 53.340000000000003 111.11 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.75 -48.04 78.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.218 -0.446 . . . . 71.340000000000003 110.584 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.4 t -59.3 -40.88 87.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 72.340000000000003 111.315 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.3 mt -57.3 -48.44 78.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.035 0.445 . . . . 55.109999999999999 111.139 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 98' ' ' ARG . 38.0 mtp180 -77.47 -36.8 52.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.631 -0.713 . . . . 73.319999999999993 111.115 -175.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 m -85.62 2.24 45.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 54.439999999999998 111.351 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.6 tp . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 121.268 0.556 . . . . 70.340000000000003 109.717 176.931 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 . . . . . 0 C--O 1.231 0.129 0 N-CA-C 110.172 -0.307 . . . . 72.439999999999998 110.172 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.1 p -100.01 -14.44 18.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.229 0.538 . . . . 72.129999999999995 110.022 175.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.8 m -99.12 125.8 44.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.718 -0.673 . . . . 41.100000000000001 109.367 172.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 t -127.08 122.0 33.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.723 0.297 . . . . 62.039999999999999 110.362 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HG3' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -99.77 152.35 20.21 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 121.029 0.442 . . . . 72.25 110.314 172.203 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.508 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 67.1 t80 -134.51 116.04 14.62 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.555 -0.748 . . . . 71.140000000000001 109.442 176.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.0 m -110.52 112.74 24.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.95 -0.568 . . . . 71.239999999999995 110.025 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -131.87 139.92 48.94 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.663 -0.495 . . . . 71.299999999999997 109.663 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -92.75 139.74 30.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.905 0.383 . . . . 65.319999999999993 110.768 -175.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -132.43 179.84 5.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.761 -0.654 . . . . 75.109999999999999 109.648 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.69 -58.65 3.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.784 0.326 . . . . 65.129999999999995 110.877 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.0 p -131.88 170.26 15.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.486 -0.325 . . . . 63.439999999999998 110.85 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.673 ' HB2' HG21 ' A' ' 69' ' ' ILE . 5.2 ptp180 -63.86 -24.18 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.0 0.428 . . . . 74.219999999999999 110.289 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.72 -46.72 84.13 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.518 0.675 . . . . 72.239999999999995 109.863 176.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.07 -28.12 68.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.815 -1.084 . . . . 54.109999999999999 110.315 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.523 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -74.98 -39.59 61.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.43 -0.804 . . . . 74.230000000000004 111.104 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 24.1 mm-40 -60.19 -42.29 94.72 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.229 -0.442 . . . . 73.219999999999999 110.345 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -61.36 -28.79 69.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 54.210000000000001 111.467 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.45 ' O ' HD23 ' A' ' 49' ' ' LEU . 51.8 t80 -73.5 -37.17 65.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.607 -0.516 . . . . 55.240000000000002 109.607 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.407 ' CE ' ' HA ' ' A' ' 46' ' ' MET . 0.9 OUTLIER -64.87 -30.52 71.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.754 -0.657 . . . . 60.350000000000001 111.046 179.241 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.9 m -57.64 -53.17 61.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.109999999999999 111.763 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -73.74 -28.27 61.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.912 0.386 . . . . 72.400000000000006 111.234 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.545 HD13 HD12 ' A' ' 52' ' ' LEU . 3.6 mm? -70.25 -27.36 64.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.147 -0.479 . . . . 72.219999999999999 111.073 178.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.42 -41.84 99.0 Favored 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 110.012 -0.366 . . . . 74.409999999999997 110.012 176.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -60.39 -41.12 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.809 -0.632 . . . . 74.5 110.662 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.56 HD21 HD22 ' A' ' 100' ' ' LEU . 77.4 mt -64.36 -51.17 64.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.811 -0.631 . . . . 61.409999999999997 110.998 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.39 -40.31 96.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.855 0.36 . . . . 75.540000000000006 111.285 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.65 90.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.062 -0.517 . . . . 62.210000000000001 111.33 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.96 -36.9 35.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.579 -0.282 . . . . 75.310000000000002 111.633 -176.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.38 -55.9 13.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 74.319999999999993 111.579 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.5 m -97.99 -55.2 2.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.35 -0.387 . . . . 44.530000000000001 111.714 -175.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.9 m 69.11 -63.85 0.35 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.122 -0.945 . . . . 60.130000000000003 110.647 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 58.34 -82.55 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.895 0.747 . . . . 64.439999999999998 111.128 -175.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -160.3 -58.24 0.06 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.461 -0.57 . . . . 65.239999999999995 109.461 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -114.32 14.28 17.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.384 -0.825 . . . . 75.140000000000001 111.084 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.12 173.83 21.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.86 -0.685 . . . . 54.240000000000002 113.005 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.65 163.85 13.2 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.473 0.309 . . . . 71.209999999999994 110.189 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.941 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 45.7 m -73.3 94.46 2.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.89 0.376 . . . . 74.430000000000007 110.381 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 p -111.27 121.16 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-O 121.389 0.614 . . . . 73.219999999999999 110.296 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.11 99.16 4.63 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.619 -0.719 . . . . 71.519999999999996 109.916 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.649 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 20.1 p90 -99.3 138.48 36.33 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.075 -0.343 . . . . 63.219999999999999 110.075 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -114.02 155.63 25.57 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.69 -0.485 . . . . 74.25 109.69 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.673 HG21 ' HB2' ' A' ' 39' ' ' ARG . 61.2 mt -125.0 115.55 44.53 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.54 -0.755 . . . . 75.409999999999997 109.338 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.862 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 38.9 ttmt -98.99 96.45 7.83 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.631 0.729 . . . . 70.319999999999993 109.73 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.79 ' HA ' HG12 ' A' ' 76' ' ' VAL . 4.6 m-20 -72.02 104.82 3.67 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.207 -1.361 . . . . 75.450000000000003 109.704 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.34 -172.67 2.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.313 0.578 . . . . 71.049999999999997 111.069 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -78.99 101.47 7.8 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.495 -0.775 . . . . 73.519999999999996 110.622 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.8 -6.07 79.56 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.877 -0.678 . . . . 44.340000000000003 113.203 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -164.97 177.12 8.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.731 0.265 . . . . 74.340000000000003 110.448 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' ' 71' ' ' ASP . 35.3 m -134.96 155.05 37.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.917 0.389 . . . . 62.539999999999999 111.055 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.862 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 27.7 tt0 -105.51 114.34 28.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.672 -0.695 . . . . 72.549999999999997 109.503 174.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.523 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.4 tm? -98.12 114.67 26.94 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.817 -0.808 . . . . 73.310000000000002 108.817 176.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.508 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 27.0 t70 -126.91 111.02 13.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.292 -0.413 . . . . 75.25 110.438 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.649 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -103.92 124.07 48.31 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.111 -0.495 . . . . 72.349999999999994 110.844 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.453 ' HA ' ' HG3' ' A' ' 31' ' ' LYS . . . -96.02 109.94 22.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.08 -0.509 . . . . 74.329999999999998 110.754 178.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -102.34 124.35 47.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.226 -0.443 . . . . 73.0 110.602 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.941 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 10.8 m -115.19 107.24 15.03 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.857 -0.423 . . . . 51.109999999999999 109.857 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.549 ' HB3' ' HB2' ' A' ' 89' ' ' GLU . 70.0 m-85 -99.67 146.54 26.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.736 -0.666 . . . . 75.409999999999997 110.405 -177.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.9 m -63.69 -36.26 83.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.112 -0.495 . . . . 63.43 110.786 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 43.1 m -130.65 162.51 29.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.04 -0.527 . . . . 73.109999999999999 110.328 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.413 ' O ' HG12 ' A' ' 91' ' ' ILE . 19.6 tt0 -70.31 -26.39 63.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.412 -0.358 . . . . 52.439999999999998 110.526 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.85 -43.97 77.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.556 . . . . 72.109999999999999 110.758 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.549 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 1.8 mm-40 -67.89 -28.8 67.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 64.099999999999994 110.268 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -75.21 -49.76 18.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.955 -0.566 . . . . 71.219999999999999 110.348 -175.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 87' ' ' GLN . 21.5 pt -66.63 -36.25 76.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.108 0.41 . . . . 65.109999999999999 112.108 -176.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 88' ' ' ALA . 39.9 pt -69.71 -30.67 45.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-O 121.225 0.536 . . . . 54.130000000000003 110.25 177.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.611 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 88.5 t80 -66.42 -47.82 72.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.511 -0.768 . . . . 72.439999999999998 110.183 177.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.428 ' HA ' HD12 ' A' ' 97' ' ' LEU . 22.3 mm-40 -55.71 -49.29 73.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.913 -0.585 . . . . 61.509999999999998 111.185 178.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.72 -44.78 93.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 75.129999999999995 110.933 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.7 t -71.88 -23.14 61.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.927 -0.579 . . . . 73.230000000000004 111.323 -176.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 67.5 mt -53.36 -56.97 12.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.891 0.377 . . . . 73.040000000000006 111.186 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.526 ' HD3' ' H ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -77.82 -29.51 50.66 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.502 -0.479 . . . . 75.400000000000006 111.157 -178.563 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 m -77.42 -8.08 57.16 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.97 0.359 . . . . 64.409999999999997 111.97 -175.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.56 HD22 HD21 ' A' ' 52' ' ' LEU . 24.6 tp . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 121.231 0.539 . . . . 72.25 110.053 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.066 -0.716 . . . . 73.319999999999993 109.066 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.6 p 163.22 15.94 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 O-C-N 124.37 1.044 . . . . 63.329999999999998 109.952 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 31.1 m -115.96 123.16 47.34 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 120.94 0.4 . . . . 64.030000000000001 111.116 -173.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.751 ' HB2' ' HG3' ' A' ' 90' ' ' MET . 28.3 t -97.22 121.79 39.51 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.307 -0.627 . . . . 75.319999999999993 109.307 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -109.2 151.71 26.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.954 0.407 . . . . 74.230000000000004 110.028 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -161.75 123.45 2.83 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.413 -0.812 . . . . 74.230000000000004 110.108 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.636 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 4.4 m -133.41 107.09 7.86 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.708 -0.478 . . . . 74.510000000000005 109.708 175.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -113.98 142.55 46.02 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.051 -0.351 . . . . 64.530000000000001 110.051 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.462 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 81.3 m-85 -90.18 132.87 35.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.282 -0.417 . . . . 73.430000000000007 110.048 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.487 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 97.4 m-85 -119.39 158.02 27.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.217 -0.447 . . . . 53.43 110.633 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.12 99.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 74.420000000000002 111.041 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.414 ' OG1' ' HG2' ' A' ' 41' ' ' GLU . 39.2 p -133.69 160.65 36.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.623 -0.262 . . . . 74.019999999999996 110.44 178.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.772 ' HA ' HG21 ' A' ' 76' ' ' VAL . 21.0 ttt180 -61.95 -30.13 70.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.889 0.376 . . . . 75.239999999999995 110.237 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -55.55 -49.84 71.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.775 -0.648 . . . . 54.100000000000001 110.354 175.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 12.2 mm-40 -56.55 -32.56 65.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.996 -1.002 . . . . 61.329999999999998 110.976 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.15 -52.15 10.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.559 -0.746 . . . . 71.010000000000005 110.957 -178.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 1.033 ' HG2' HD13 ' A' ' 69' ' ' ILE . 51.4 mt-10 -64.01 -34.16 77.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 74.439999999999998 110.769 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.0 t -65.47 -29.27 69.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.938 -0.574 . . . . 73.010000000000005 110.953 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.51 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 56.2 t80 -76.1 -42.88 45.8 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.43 -0.35 . . . . 73.0 110.226 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.3 tpp -63.11 -24.26 67.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 72.209999999999994 111.292 -178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.505 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 31.3 m -53.96 -50.33 66.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.339 -0.392 . . . . 62.549999999999997 111.463 178.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 17.0 ptmt -74.07 -27.79 61.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.351 -0.386 . . . . 75.010000000000005 111.353 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.439 HD12 ' HZ ' ' A' ' 93' ' ' PHE . 4.4 mm? -63.61 -30.25 71.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.732 0.301 . . . . 70.099999999999994 110.453 176.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 47' ' ' THR . 5.2 mptp? -56.39 -40.54 74.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 71.340000000000003 110.719 174.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -75.25 -51.13 14.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.968 -0.56 . . . . 74.400000000000006 110.783 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.0 mt -57.87 -42.72 85.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.349 -0.841 . . . . 73.019999999999996 112.161 -174.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.19 85.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.747 0.308 . . . . 54.450000000000003 111.64 -178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.573 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . . . -76.08 -30.25 58.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.312 -0.403 . . . . 72.310000000000002 111.452 -177.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.02 -33.91 38.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.876 0.37 . . . . 43.219999999999999 111.357 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.7 -42.31 22.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.05 -0.523 . . . . 63.109999999999999 111.437 -178.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -86.3 127.76 34.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.052 0.453 . . . . 51.530000000000001 111.064 -175.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m -77.96 12.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.681 -0.691 . . . . 65.129999999999995 111.826 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 60' ' ' ASP . . . -89.4 19.31 4.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.52 -0.309 . . . . 64.099999999999994 111.464 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 59' ' ' ALA . 4.7 m-20 71.17 -69.66 0.18 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.745 -0.661 . . . . 53.039999999999999 112.258 177.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -92.99 31.76 1.37 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.871 -0.604 . . . . 74.450000000000003 111.09 -171.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.573 ' HA2' ' HA ' ' A' ' 54' ' ' ALA . . . 85.61 -133.35 11.73 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.744 -0.741 . . . . 43.420000000000002 111.856 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.62 171.3 14.57 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.151 -0.314 . . . . 72.129999999999995 110.151 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.542 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 73.8 m -75.31 99.18 4.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.575 -0.284 . . . . 54.100000000000001 110.494 178.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 6.0 p -111.11 116.15 51.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.602 0.715 . . . . 55.530000000000001 111.411 -178.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.57 97.27 9.26 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.238 -1.023 . . . . 73.549999999999997 108.238 171.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -121.17 155.34 34.74 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.015 0.436 . . . . 73.239999999999995 110.93 -173.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.609 ' HG2' ' HB3' ' A' ' 79' ' ' ASP . 10.2 ptpp? -147.77 156.98 43.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.95 -0.568 . . . . 73.340000000000003 110.205 178.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 1.033 HD13 ' HG2' ' A' ' 43' ' ' GLU . 23.2 mt -121.68 104.92 15.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 N-CA-C 108.231 -1.025 . . . . 70.239999999999995 108.231 177.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.717 ' HB3' ' HG2' ' A' ' 77' ' ' GLU . 83.8 tttt -107.71 121.93 45.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.253 0.549 . . . . 72.239999999999995 111.23 -168.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.77 ' HA ' HG12 ' A' ' 76' ' ' VAL . 5.5 m-20 -77.83 127.35 32.26 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.994 -1.003 . . . . 63.200000000000003 110.423 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.5 mt -122.09 -177.88 3.71 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.02 -0.363 . . . . 73.030000000000001 110.02 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -86.86 102.7 14.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.87 0.367 . . . . 73.540000000000006 110.571 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.09 -3.95 73.87 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.941 -0.647 . . . . 63.009999999999998 112.219 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -164.5 177.91 7.79 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.937 -0.394 . . . . 74.409999999999997 109.937 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.772 HG21 ' HA ' ' A' ' 39' ' ' ARG . 27.4 m -140.58 153.78 21.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.302 -0.629 . . . . 71.049999999999997 109.302 174.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.717 ' HG2' ' HB3' ' A' ' 70' ' ' LYS . 13.0 pt-20 -109.12 126.7 53.48 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.609 0.719 . . . . 74.019999999999996 110.011 176.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.636 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -97.65 110.56 23.1 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.383 -0.969 . . . . 75.239999999999995 108.383 174.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.609 ' HB3' ' HG2' ' A' ' 68' ' ' LYS . 9.6 t70 -107.56 126.58 52.72 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.474 -0.785 . . . . 72.209999999999994 110.247 -175.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -139.12 135.71 34.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.385 -0.37 . . . . 65.219999999999999 110.751 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.583 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -134.11 100.64 4.77 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.237 -0.438 . . . . 73.329999999999998 109.902 175.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 29' ' ' THR . 82.0 m-85 -93.47 112.65 24.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.118 -0.492 . . . . 71.010000000000005 110.345 -177.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.542 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 63.9 m -94.76 108.91 20.92 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.637 -0.505 . . . . 74.319999999999993 109.637 175.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -89.86 168.52 11.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.842 -0.617 . . . . 71.540000000000006 110.52 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.3 p -76.56 -23.23 53.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.182 0.515 . . . . 74.409999999999997 110.711 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.512 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 63.9 m -140.51 154.2 46.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.848 -0.614 . . . . 65.209999999999994 110.088 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.401 ' O ' HG12 ' A' ' 91' ' ' ILE . 31.8 tt0 -69.01 -33.09 73.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.561 -0.291 . . . . 71.030000000000001 110.75 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.5 -40.08 74.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.284 -0.416 . . . . 64.109999999999999 110.808 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 6.0 mm-40 -62.71 -32.77 73.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.09 -0.505 . . . . 61.229999999999997 110.318 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.751 ' HG3' ' HB2' ' A' ' 30' ' ' SER . 59.1 ttp -69.28 -51.95 32.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.879 -0.6 . . . . 72.219999999999999 110.915 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.602 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.8 pt -68.21 -39.81 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 116.197 -0.456 . . . . 65.329999999999998 112.201 -176.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 pp -64.53 -30.59 50.64 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 C-N-CA 120.326 -0.55 . . . . 73.230000000000004 110.456 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.657 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 74.8 t80 -65.56 -51.49 59.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.65 -0.705 . . . . 71.439999999999998 110.573 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.22 -28.36 63.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 70.5 111.731 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 72.4 mt -63.24 -51.23 67.07 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.152 -0.314 . . . . 51.530000000000001 110.152 175.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.6 m -58.42 -40.99 84.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 65.049999999999997 111.404 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.9 mt -56.97 -49.51 75.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.935 0.398 . . . . 62.530000000000001 110.554 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -70.68 -31.25 68.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.009 -0.541 . . . . 74.340000000000003 111.048 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -66.38 -30.34 70.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 73.239999999999995 110.502 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.0 tt . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 116.105 -0.498 . . . . 61.119999999999997 110.481 178.685 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 p30 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.295 -0.631 . . . . 72.439999999999998 109.295 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.3 m -104.4 24.15 12.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.877 0.37 . . . . 72.010000000000005 111.424 -174.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.1 m -116.44 110.45 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.349 -0.387 . . . . 72.349999999999994 110.362 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.522 ' HB2' ' SD ' ' A' ' 90' ' ' MET . 32.2 t -98.41 116.96 31.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.947 0.404 . . . . 65.140000000000001 110.552 -178.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -103.61 112.84 25.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.96 -0.564 . . . . 61.009999999999998 109.695 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -124.65 119.13 28.13 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.964 -0.562 . . . . 73.230000000000004 110.407 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.678 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 3.8 p -128.64 111.0 12.72 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.045 0.45 . . . . 74.040000000000006 110.979 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -119.38 151.32 38.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 73.409999999999997 110.373 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.495 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 81.6 m-85 -84.44 137.09 33.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.145 -0.479 . . . . 65.439999999999998 110.597 176.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -127.73 163.28 24.67 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.656 -0.702 . . . . 75.510000000000005 109.58 176.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.75 -56.97 14.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.4 0.437 . . . . 61.310000000000002 110.877 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.9 p -123.67 160.37 27.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.468 -0.333 . . . . 73.519999999999996 110.985 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.606 ' HG3' HG21 ' A' ' 69' ' ' ILE . 41.4 ttt180 -59.91 -31.7 70.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.205 0.526 . . . . 74.230000000000004 110.106 175.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.08 -50.62 73.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.545 -0.752 . . . . 72.129999999999995 110.605 176.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -54.28 -34.76 61.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.734 -0.666 . . . . 72.319999999999993 110.896 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.491 ' HB1' ' HB2' ' A' ' 78' ' ' LEU . . . -69.42 -52.89 22.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.707 -0.678 . . . . 74.109999999999999 110.985 -177.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.95 -31.82 72.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.372 -0.377 . . . . 62.399999999999999 111.198 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.7 m -67.87 -28.76 67.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 72.209999999999994 110.985 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.471 ' O ' HD23 ' A' ' 49' ' ' LEU . 86.1 t80 -72.6 -35.05 67.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.073 0.463 . . . . 65.140000000000001 109.789 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.591 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 35.9 tpp -63.43 -40.13 96.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.688 -0.687 . . . . 75.129999999999995 111.472 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.2 m -52.53 -50.79 62.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.446 0.536 . . . . 44.200000000000003 112.446 -173.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -71.48 -28.53 63.99 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.061 -0.256 . . . . 71.129999999999995 111.183 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.1 mm? -70.93 -36.16 72.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.587 -0.279 . . . . 71.299999999999997 111.03 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 46' ' ' MET . 41.1 mtpt -55.87 -48.74 75.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.926 0.393 . . . . 75.329999999999998 110.554 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.85 -41.52 82.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.553 -0.749 . . . . 72.129999999999995 110.722 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.5 mt -68.67 -43.17 76.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.693 -0.685 . . . . 74.040000000000006 110.751 -178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.22 97.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.42 -0.355 . . . . 62.310000000000002 111.18 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.423 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . . . -62.06 -35.54 78.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 74.439999999999998 111.427 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.41 -29.75 24.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.441 -0.345 . . . . 72.319999999999993 111.332 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.43 -37.23 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.398 -0.365 . . . . 74.030000000000001 110.829 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.429 ' HB2' ' CD2' ' A' ' 84' ' ' PHE . 34.4 t -86.02 115.34 23.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.234 -0.439 . . . . 73.299999999999997 110.433 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.5 m -79.76 19.97 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.087 0.47 . . . . 71.299999999999997 111.395 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.24 11.68 9.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.026 -0.534 . . . . 42.420000000000002 111.643 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 73.38 -54.73 0.69 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.554 0.742 . . . . 73.230000000000004 111.461 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -90.41 29.12 1.32 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.019 -0.537 . . . . 73.010000000000005 110.698 -175.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 54' ' ' ALA . . . 66.02 -133.06 34.04 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.991 -0.624 . . . . 53.439999999999998 112.067 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.52 178.24 7.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.852 0.358 . . . . 62.450000000000003 110.869 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.871 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 14.6 m -88.94 122.31 32.18 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.322 -0.622 . . . . 51.020000000000003 109.322 176.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.4 p -133.22 116.42 25.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.453 0.644 . . . . 74.219999999999999 111.214 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.34 122.71 38.45 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.578 -0.737 . . . . 63.439999999999998 109.517 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.51 ' HE2' HD11 ' A' ' 69' ' ' ILE . 18.0 p90 -120.59 135.98 54.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.256 0.551 . . . . 74.349999999999994 111.056 -177.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.47 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 36.2 mtmt -113.86 165.51 12.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.501 -0.772 . . . . 72.120000000000005 109.764 174.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.606 HG21 ' HG3' ' A' ' 39' ' ' ARG . 45.4 mt -137.21 111.44 9.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 115.518 -0.764 . . . . 35.130000000000003 110.427 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -105.94 99.31 8.91 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.891 0.853 . . . . 73.439999999999998 109.488 175.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.786 ' HA ' HG12 ' A' ' 76' ' ' VAL . 5.7 p-10 -75.5 107.88 7.93 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.939 -1.482 . . . . 64.319999999999993 109.434 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.0 mt -97.88 -169.99 1.91 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.271 -0.422 . . . . 73.150000000000006 110.398 -174.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -75.96 102.4 5.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.841 -0.618 . . . . 72.010000000000005 109.375 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.9 -62.11 1.92 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.971 -0.633 . . . . 63.149999999999999 112.312 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -105.71 171.52 7.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.581 0.229 . . . . 71.219999999999999 110.695 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.786 HG12 ' HA ' ' A' ' 71' ' ' ASP . 32.9 m -130.87 154.5 40.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.626 -0.261 . . . . 71.400000000000006 110.534 177.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -109.8 115.7 30.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.776 0.322 . . . . 44.219999999999999 110.368 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.678 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.4 tm? -91.44 114.18 26.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.706 -0.85 . . . . 53.140000000000001 108.706 176.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.475 ' O ' ' HA ' ' A' ' 67' ' ' TYR . 21.4 t70 -109.33 114.6 28.42 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.078 -0.51 . . . . 75.219999999999999 110.564 -176.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.52 133.11 56.4 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.322 -0.399 . . . . 53.32 111.542 -176.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.65 107.56 15.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.781 -0.645 . . . . 70.239999999999995 110.23 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -102.34 113.29 26.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.895 -0.593 . . . . 72.150000000000006 110.577 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.871 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 28.5 m -108.19 106.2 16.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.999 0.428 . . . . 73.310000000000002 110.308 177.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.429 ' CD2' ' HB2' ' A' ' 57' ' ' SER . 45.5 m-85 -91.84 154.12 19.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.818 -0.628 . . . . 74.430000000000007 110.122 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 m -75.49 -31.97 60.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.959 0.409 . . . . 52.140000000000001 111.087 -177.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.85 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 33.3 m -124.29 144.76 49.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.041 -0.527 . . . . 73.409999999999997 109.963 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -66.66 -32.43 73.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.359 . . . . 74.200000000000003 111.218 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.32 -37.77 75.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.29 -0.414 . . . . 74.140000000000001 110.484 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.85 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 4.2 mm-40 -67.37 -31.02 70.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.672 -0.694 . . . . 72.230000000000004 110.447 -178.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.522 ' SD ' ' HB2' ' A' ' 30' ' ' SER . 49.2 tpp -65.35 -54.16 33.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.025 0.441 . . . . 70.239999999999995 110.96 -179.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.595 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.3 pt -67.08 -39.14 82.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.164 -0.471 . . . . 45.409999999999997 112.078 -176.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 pp -69.18 -29.76 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.468 -0.493 . . . . 71.129999999999995 110.551 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.586 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 50.2 t80 -62.94 -52.23 63.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.957 -0.565 . . . . 74.409999999999997 110.554 176.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.55 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 3.5 pt-20 -69.55 -31.27 69.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.601 -0.272 . . . . 75.140000000000001 111.317 -177.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 73.2 mt -61.34 -44.83 96.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.919 0.39 . . . . 71.420000000000002 110.32 176.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.0 m -66.22 -22.99 66.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.043 -0.526 . . . . 64.409999999999997 110.691 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 79.6 mt -77.83 -30.65 51.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 110.781 177.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 94' ' ' GLU . 54.7 mtt180 -62.54 -50.94 69.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.187 -0.461 . . . . 74.019999999999996 111.436 -174.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.2 p -69.54 -28.27 65.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.112 0.482 . . . . 75.409999999999997 110.894 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.7 tt . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 115.71 -0.677 . . . . 74.120000000000005 110.066 176.046 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 p30 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 107.717 -1.216 . . . . 63.049999999999997 107.717 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.4 p -78.21 45.34 0.54 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.414 0.524 . . . . 70.219999999999999 112.414 -173.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 89.9 m -132.86 123.89 26.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.349 -0.387 . . . . 61.530000000000001 110.011 177.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.417 ' HB2' ' HG3' ' A' ' 90' ' ' MET . 11.6 t -97.31 135.54 39.08 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.429 -0.582 . . . . 73.299999999999997 109.429 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.447 ' NZ ' ' HB2' ' A' ' 81' ' ' ALA . 29.9 mmmt -112.51 143.61 43.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.108 -0.496 . . . . 63.420000000000002 111.352 -173.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -136.2 118.81 15.97 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.936 -0.764 . . . . 73.450000000000003 108.936 169.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 9.9 m -133.47 118.19 18.06 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.852 -0.425 . . . . 64.219999999999999 109.852 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -148.94 149.9 31.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.985 0.421 . . . . 71.099999999999994 111.275 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 4.6 m-85 -85.99 118.69 25.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.738 -0.665 . . . . 71.120000000000005 109.213 175.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 66.7 m-85 -104.72 155.88 18.49 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.203 -0.295 . . . . 73.120000000000005 110.203 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.99 -47.02 86.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.982 0.42 . . . . 74.129999999999995 111.515 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.83 161.61 34.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.226 -0.443 . . . . 44.109999999999999 110.251 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HA ' HG21 ' A' ' 76' ' ' VAL . 22.0 ttt180 -58.28 -33.06 69.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 65.5 110.918 177.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.27 -48.74 80.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.008 -0.542 . . . . 75.150000000000006 110.789 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 38.2 mm-40 -52.85 -34.07 52.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.566 -0.743 . . . . 72.230000000000004 110.49 176.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.611 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -76.11 -52.92 9.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.198 -0.91 . . . . 65.340000000000003 111.264 -178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.724 ' HG2' HD13 ' A' ' 69' ' ' ILE . 27.4 mt-10 -66.49 -31.94 72.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.376 -0.375 . . . . 64.329999999999998 111.646 -176.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.2 m -63.84 -35.2 79.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.728 0.299 . . . . 73.530000000000001 110.347 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.493 ' O ' HD23 ' A' ' 49' ' ' LEU . 32.2 t80 -76.51 -37.07 57.31 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.451 -0.574 . . . . 74.129999999999995 109.451 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.423 ' CE ' ' HA ' ' A' ' 46' ' ' MET . 1.7 tpt -61.81 -37.46 84.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.719 -0.673 . . . . 51.399999999999999 110.859 177.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.714 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 41.1 m -63.16 -51.39 66.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 74.040000000000006 111.579 -177.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -67.14 -28.86 68.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 73.409999999999997 111.021 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 45' ' ' PHE . 2.0 mm? -63.89 -34.62 78.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.412 -0.358 . . . . 74.200000000000003 110.873 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.714 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 32.0 mttt -60.96 -44.65 97.0 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.057 0.456 . . . . 71.219999999999999 110.47 176.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -65.92 -42.81 89.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.584 -0.734 . . . . 71.340000000000003 110.603 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.404 HD13 HD23 ' A' ' 97' ' ' LEU . 96.0 mt -65.74 -31.72 72.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.823 -0.626 . . . . 75.340000000000003 111.35 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.98 -34.69 78.56 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.262 0.553 . . . . 75.239999999999995 110.542 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.84 -30.52 66.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.768 -0.651 . . . . 32.520000000000003 110.646 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.93 -31.28 50.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.468 -0.333 . . . . 43.109999999999999 110.972 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.63 -53.33 6.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.386 -0.37 . . . . 63.030000000000001 111.86 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.9 m -114.82 -31.11 6.23 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.976 0.361 . . . . 54.549999999999997 111.976 -175.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.1 m 70.16 -71.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.541 -0.754 . . . . 64.329999999999998 109.794 -175.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 50.16 17.3 0.31 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.471 0.915 . . . . 63.240000000000002 113.471 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 66.86 -62.32 0.3 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.416 0.687 . . . . 70.299999999999997 111.816 -176.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -85.76 -24.69 26.77 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.056 0.455 . . . . 64.450000000000003 110.494 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.03 172.95 16.99 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.884 -0.674 . . . . 60.140000000000001 111.868 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.96 152.76 36.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.597 0.237 . . . . 65.340000000000003 110.421 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.623 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 69.5 m -70.27 103.22 2.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.24 -0.436 . . . . 64.239999999999995 110.789 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.1 p -100.43 120.33 49.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.494 0.664 . . . . 74.019999999999996 111.251 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . . . -105.28 99.76 9.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.179 -0.919 . . . . 72.010000000000005 108.714 172.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -111.23 150.62 29.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.043 0.449 . . . . 64.450000000000003 111.77 -172.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.477 ' HB2' ' HB3' ' A' ' 79' ' ' ASP . 91.2 mttt -134.4 138.37 44.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.423 -0.808 . . . . 65.319999999999993 110.233 169.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.724 HD13 ' HG2' ' A' ' 43' ' ' GLU . 59.1 mt -128.7 103.42 9.59 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 114.417 -1.265 . . . . 75.349999999999994 108.34 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.564 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 81.4 tttt -111.08 119.06 37.75 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.038 -0.528 . . . . 74.150000000000006 111.25 -171.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.644 ' HA ' HG12 ' A' ' 76' ' ' VAL . 7.5 m-20 -82.12 108.44 15.6 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.003 -0.999 . . . . 72.430000000000007 110.229 -178.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.0 mt -104.63 -179.85 4.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.937 0.399 . . . . 61.240000000000002 109.967 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -88.67 103.84 16.31 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.065 0.459 . . . . 73.319999999999993 110.32 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.25 -5.93 65.77 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 115.728 -0.669 . . . . 72.129999999999995 112.632 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -167.05 178.72 5.56 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.756 -0.461 . . . . 65.439999999999998 109.756 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 71' ' ' ASP . 27.1 m -138.74 157.25 29.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.814 0.34 . . . . 54.210000000000001 110.661 176.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.564 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 6.0 tp10 -102.6 114.53 28.83 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.809 -0.632 . . . . 71.329999999999998 109.379 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.611 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.2 tm? -102.11 114.48 28.64 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.691 -0.855 . . . . 71.310000000000002 108.691 176.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.477 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 26.9 t70 -122.43 111.52 16.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.052 -0.522 . . . . 63.240000000000002 110.706 -176.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.62 140.75 47.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.827 -0.624 . . . . 52.409999999999997 111.037 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . . . -140.29 106.91 5.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.828 -0.624 . . . . 54.509999999999998 110.149 177.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 29' ' ' THR . 78.9 m-85 -104.04 112.56 25.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.911 0.386 . . . . 72.239999999999995 110.792 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.623 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 96.8 m -91.97 122.17 34.24 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.888 -0.596 . . . . 73.519999999999996 109.861 176.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.443 ' HZ ' ' CD2' ' A' ' 93' ' ' PHE . 64.1 m-85 -107.47 -174.25 2.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.683 -0.69 . . . . 71.129999999999995 109.825 -177.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.2 m -69.87 -44.85 68.96 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.139 0.495 . . . . 44.119999999999997 110.225 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 34.8 t -148.78 179.47 7.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.428 -0.582 . . . . 55.210000000000001 109.428 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.563 ' O ' HG12 ' A' ' 91' ' ' ILE . 32.0 tt0 -75.03 -17.09 60.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.641 0.258 . . . . 72.510000000000005 111.238 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.88 -50.5 73.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.905 0.384 . . . . 63.020000000000003 110.637 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.402 ' HG3' ' HB3' ' A' ' 84' ' ' PHE . 2.1 pm0 -74.74 -26.0 59.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.209 -0.451 . . . . 72.200000000000003 111.045 176.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.54 ' HB3' ' HA ' ' A' ' 87' ' ' GLN . 19.3 ttt -60.69 -56.87 16.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.193 -0.458 . . . . 70.219999999999999 111.43 177.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.708 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 17.9 pt -63.27 -44.84 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 112.086 0.402 . . . . 65.230000000000004 112.086 -174.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.513 ' HA ' HD12 ' A' ' 95' ' ' LEU . 2.8 pp -64.79 -29.72 48.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.753 0.311 . . . . 60.399999999999999 111.179 -177.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.589 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 69.2 t80 -64.7 -51.57 61.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.046 -0.524 . . . . 72.430000000000007 110.825 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.402 ' HA ' HD12 ' A' ' 97' ' ' LEU . 6.2 pt-20 -72.9 -27.54 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 73.109999999999999 111.701 -177.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 97.6 mt -56.65 -50.5 71.87 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.213 0.53 . . . . 72.430000000000007 109.594 173.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 100' ' ' LEU . 62.1 m -62.72 -40.67 97.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.487 -0.779 . . . . 64.140000000000001 111.47 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.3 mt -53.24 -48.46 68.19 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.996 0.427 . . . . 73.120000000000005 111.233 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 98' ' ' ARG . 56.3 mtt180 -77.23 -38.28 51.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.53 -0.759 . . . . 73.409999999999997 111.788 -171.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 61.6 m -74.68 -22.0 59.11 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.905 0.383 . . . . 63.409999999999997 111.62 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 96' ' ' SER . 13.5 tp . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 120.94 0.4 . . . . 74.329999999999998 111.153 -176.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.4 p30 . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 109.717 -0.475 . . . . 70.209999999999994 109.717 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.2 m -98.57 13.4 32.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.0 0.429 . . . . 52.210000000000001 111.838 -175.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 m -100.2 123.13 44.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.983 0.421 . . . . 52.240000000000002 109.953 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.624 ' HB3' ' HB2' ' A' ' 82' ' ' PHE . 14.0 t -98.61 105.13 17.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.789 0.328 . . . . 72.530000000000001 110.343 -176.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -101.3 121.86 42.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.975 -0.557 . . . . 54.539999999999999 110.245 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.419 ' CE2' ' HB2' ' A' ' 34' ' ' ARG . 68.0 t80 -124.3 117.55 24.78 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.242 -0.651 . . . . 71.140000000000001 109.242 174.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -125.68 106.72 9.93 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.761 -0.459 . . . . 73.219999999999999 109.761 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.419 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 1.8 tmt_? -132.51 144.63 50.57 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.753 -0.462 . . . . 73.540000000000006 109.753 -174.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.501 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 78.8 m-85 -94.86 130.5 41.43 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.277 -0.419 . . . . 74.340000000000003 109.964 178.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.501 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 80.7 m-85 -120.97 156.75 31.43 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.65 -0.25 . . . . 72.439999999999998 110.794 -178.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.75 -49.27 58.39 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.849 0.718 . . . . 61.409999999999997 112.138 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.4 p -135.26 168.5 19.07 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.601 -0.272 . . . . 72.109999999999999 110.364 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.682 ' HA ' HG21 ' A' ' 76' ' ' VAL . 20.3 ptp180 -66.26 -19.6 65.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.323 0.582 . . . . 75.409999999999997 109.511 177.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -62.61 -49.51 74.92 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.224 -0.898 . . . . 73.040000000000006 110.145 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.501 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 20.5 mm-40 -58.1 -29.66 65.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.856 -1.065 . . . . 71.239999999999995 110.944 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.603 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -68.78 -48.66 63.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.834 -0.621 . . . . 72.340000000000003 110.111 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -63.04 -38.4 91.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.76 -0.655 . . . . 61.210000000000001 110.823 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -60.83 -38.58 85.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.415 -0.357 . . . . 65.420000000000002 111.255 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.515 ' O ' HD23 ' A' ' 49' ' ' LEU . 50.5 t80 -71.89 -39.41 69.59 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.511 -0.551 . . . . 73.310000000000002 109.511 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.451 ' O ' ' HD3' ' A' ' 50' ' ' LYS . 40.3 tpp -67.7 -29.92 69.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.885 -0.598 . . . . 75.349999999999994 111.072 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.9 m -59.81 -48.48 81.5 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 120.696 0.284 . . . . 75.349999999999994 111.335 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -73.14 -27.18 61.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.13 0.491 . . . . 64.430000000000007 110.724 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 45' ' ' PHE . 1.2 mm? -63.26 -34.62 78.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.642 -0.708 . . . . 74.129999999999995 111.059 175.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 46' ' ' MET . 1.8 mptm? -53.76 -49.29 68.54 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.892 0.377 . . . . 72.540000000000006 110.792 176.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -61.04 -47.51 86.07 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.624 -0.716 . . . . 73.430000000000007 110.656 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.677 HD11 HD22 ' A' ' 100' ' ' LEU . 96.7 mt -63.08 -50.09 71.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.32 -0.855 . . . . 75.109999999999999 111.496 -176.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.65 -37.58 76.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 64.299999999999997 111.238 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.75 78.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 73.329999999999998 111.556 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.38 -29.99 23.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.338 -0.392 . . . . 52.200000000000003 111.677 -177.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.49 -52.13 9.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.186 0.439 . . . . 70.329999999999998 112.186 -175.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.1 t -77.95 141.11 39.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.158 0.504 . . . . 72.349999999999994 111.395 -173.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.6 p -72.87 -11.64 60.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.575 -0.739 . . . . 62.200000000000003 110.472 175.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.96 -13.56 60.53 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.076 -0.511 . . . . 63.409999999999997 109.967 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.2 t70 72.63 -37.63 0.39 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.216 -0.902 . . . . 73.150000000000006 112.503 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -86.13 5.13 35.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.654 0.264 . . . . 75.400000000000006 111.566 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.8 8.95 60.25 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.834 -0.698 . . . . 63.520000000000003 112.97 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.488 ' HB1' ' O ' ' A' ' 83' ' ' THR . . . 64.82 -162.02 0.27 Allowed 'General case' 0 C--O 1.234 0.27 0 C-N-CA 122.665 0.386 . . . . 72.140000000000001 110.864 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.522 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 19.9 m -66.75 108.86 2.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.065 -0.346 . . . . 73.519999999999996 110.065 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -117.36 124.48 73.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.313 0.578 . . . . 61.350000000000001 111.214 -177.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.24 143.34 35.93 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.645 -0.707 . . . . 75.5 109.142 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -154.5 152.9 30.64 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.534 -0.466 . . . . 72.109999999999999 110.939 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 47.0 mtmt -131.65 160.14 36.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.759 -0.655 . . . . 74.219999999999999 110.463 175.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.42 HG12 HD23 ' A' ' 78' ' ' LEU . 63.3 mt -132.24 104.52 7.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.928 -1.033 . . . . 75.510000000000005 109.291 176.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -98.8 123.78 43.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.971 0.415 . . . . 75.549999999999997 110.039 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.664 ' HA ' HG12 ' A' ' 76' ' ' VAL . 8.1 p-10 -76.17 131.82 39.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.697 -0.683 . . . . 63.240000000000002 110.74 -177.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.5 mt -126.12 -172.78 2.69 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.468 -0.567 . . . . 55.420000000000002 109.468 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.56 106.34 16.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.057 0.456 . . . . 75.209999999999994 109.917 -179.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.67 -1.61 88.71 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.653 -0.703 . . . . 62.130000000000003 113.007 175.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -163.18 169.92 18.57 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.934 -0.395 . . . . 64.400000000000006 109.934 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.682 HG21 ' HA ' ' A' ' 39' ' ' ARG . 27.7 m -130.89 160.89 41.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.611 -0.268 . . . . 73.140000000000001 110.553 177.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -102.24 114.26 28.26 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.106 -0.497 . . . . 74.430000000000007 110.339 176.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.603 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.2 tm? -95.34 111.42 23.29 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.186 -1.042 . . . . 74.200000000000003 108.186 174.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -118.13 106.1 12.51 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.894 -0.594 . . . . 75.019999999999996 110.005 -175.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.03 134.9 50.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.105 -0.498 . . . . 64.140000000000001 111.394 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.94 110.04 13.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.601 -0.727 . . . . 53.0 110.437 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.624 ' HB2' ' HB3' ' A' ' 30' ' ' SER . 92.5 m-85 -109.92 151.84 26.57 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.755 -0.461 . . . . 75.549999999999997 109.755 176.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.522 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 37.5 m -137.5 103.88 5.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.632 -0.507 . . . . 61.43 109.632 174.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.59 ' HB3' ' HG3' ' A' ' 89' ' ' GLU . 97.7 m-85 -88.88 162.38 16.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.804 -0.635 . . . . 73.340000000000003 111.46 -171.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.3 m -69.54 -32.48 71.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.64 -0.709 . . . . 64.120000000000005 110.918 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 53.2 t -144.38 155.8 43.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.23 -0.441 . . . . 71.150000000000006 110.277 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.642 ' HA ' ' HB3' ' A' ' 90' ' ' MET . 6.0 tt0 -67.5 -21.85 65.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.383 -0.371 . . . . 73.420000000000002 110.674 177.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.46 -45.06 81.05 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.418 -0.355 . . . . 71.239999999999995 110.752 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.59 ' HG3' ' HB3' ' A' ' 84' ' ' PHE . 7.0 pt-20 -82.03 -26.0 34.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 73.349999999999994 110.722 178.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.642 ' HB3' ' HA ' ' A' ' 87' ' ' GLN . 13.3 tpt -62.48 -56.91 13.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.008 -0.542 . . . . 72.120000000000005 111.366 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.568 HG12 ' O ' ' A' ' 87' ' ' GLN . 24.6 pt -59.83 -45.8 94.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.457 -0.338 . . . . 74.420000000000002 111.805 -175.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.439 ' N ' HG13 ' A' ' 91' ' ' ILE . 2.8 pp -68.76 -29.65 44.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.51 0.195 . . . . 61.25 111.072 -176.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.596 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 92.6 t80 -65.8 -52.4 51.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.538 -0.301 . . . . 71.109999999999999 110.823 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -73.15 -28.74 62.4 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.892 -0.323 . . . . 70.150000000000006 111.169 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.3 mt -65.83 -46.66 77.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.929 0.395 . . . . 62.310000000000002 109.941 173.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 100' ' ' LEU . 10.9 t -66.86 -22.6 65.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.972 -0.558 . . . . 74.299999999999997 111.33 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.1 mt -62.02 -50.51 71.73 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.369 0.604 . . . . 75.420000000000002 109.949 174.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -72.28 -29.79 64.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.168 -0.924 . . . . 54.340000000000003 110.922 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.9 m -97.8 8.49 44.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.951 -0.568 . . . . 64.400000000000006 112.448 -173.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.677 HD22 HD11 ' A' ' 52' ' ' LEU . 29.7 tp . . . . . 0 C--N 1.327 -0.407 0 CA-C-O 121.351 0.596 . . . . 64.409999999999997 109.987 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 . . . . . 0 N--CA 1.456 -0.157 0 N-CA-C 109.401 -0.592 . . . . 64.319999999999993 109.401 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.6 m -83.73 -16.92 43.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.675 0.75 . . . . 63.409999999999997 109.532 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.6 m -104.41 121.48 43.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.1 -0.954 . . . . 44.200000000000003 109.93 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t -105.4 133.6 49.89 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.657 -0.497 . . . . 44.140000000000001 109.657 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 3.0 mmmp? -99.35 112.35 24.55 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.647 -0.501 . . . . 74.420000000000002 109.647 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.581 ' HE2' ' HE2' ' A' ' 45' ' ' PHE . 84.7 t80 -115.37 119.95 37.97 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.866 -0.606 . . . . 72.439999999999998 110.211 -175.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 9.4 p -115.18 139.82 49.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.552 0.692 . . . . 51.43 111.388 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -139.03 144.55 38.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.135 -0.939 . . . . 61.310000000000002 109.555 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -115.15 129.65 56.72 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.016 0.436 . . . . 71.019999999999996 110.401 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -131.73 174.02 10.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.624 -0.716 . . . . 52.009999999999998 110.561 -176.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.26 -58.01 5.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.89 -0.595 . . . . 64.329999999999998 110.857 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 49.1 p -122.86 160.47 26.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.519 -0.31 . . . . 62.409999999999997 110.543 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.731 ' HG3' HG21 ' A' ' 69' ' ' ILE . 32.7 ttt180 -55.27 -32.17 62.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.094 0.473 . . . . 71.310000000000002 110.264 175.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -54.74 -52.27 63.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.52 -0.764 . . . . 73.150000000000006 110.436 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.97 -29.05 69.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.047 -0.979 . . . . 72.129999999999995 110.555 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.51 -48.41 22.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.768 -0.651 . . . . 62.119999999999997 110.825 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.37 -25.67 66.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 73.530000000000001 110.706 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.2 m -65.05 -28.74 69.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 64.400000000000006 110.865 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.581 ' HE2' ' HE2' ' A' ' 32' ' ' PHE . 38.3 t80 -79.27 -34.78 42.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.293 0.568 . . . . 63.229999999999997 109.513 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 37.4 tpp -65.29 -36.25 83.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.514 -0.766 . . . . 75.319999999999993 111.412 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.5 m -56.17 -52.0 65.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.482 -0.327 . . . . 53.030000000000001 111.805 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -72.57 -28.74 63.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.904 0.383 . . . . 72.439999999999998 111.417 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.472 HD12 ' HZ ' ' A' ' 93' ' ' PHE . 3.4 mm? -69.94 -24.98 63.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.437 -0.347 . . . . 75.519999999999996 111.219 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -56.92 -44.09 82.06 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.053 0.454 . . . . 70.120000000000005 110.861 176.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -63.14 -44.95 94.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.63 -0.714 . . . . 71.209999999999994 110.355 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.405 HD12 HD13 ' A' ' 49' ' ' LEU . 88.8 mt -64.82 -42.67 94.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.257 -0.883 . . . . 60.109999999999999 111.245 -177.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.27 -43.11 99.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.697 0.284 . . . . 65.030000000000001 111.479 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.29 83.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.992 0.425 . . . . 75.25 110.832 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.06 -35.58 80.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.962 -0.563 . . . . 43.43 110.801 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 93' ' ' PHE . . . -64.14 -48.82 74.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.692 -0.685 . . . . 65.319999999999993 111.128 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.575 ' HA ' ' HB3' ' A' ' 89' ' ' GLU . 9.3 t -64.45 -24.18 67.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.127 0.489 . . . . 44.020000000000003 110.066 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.1 m 66.3 8.98 6.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.452 -0.794 . . . . 52.409999999999997 111.621 174.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -101.64 19.67 17.63 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.058 -0.519 . . . . 63.229999999999997 111.396 -175.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 66.84 -73.19 0.08 Allowed 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.75 0.656 . . . . 73.200000000000003 111.372 177.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -99.51 -21.43 15.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.493 -0.776 . . . . 73.319999999999993 110.313 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.94 115.73 8.28 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.549 -0.75 . . . . 73.140000000000001 112.588 -178.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.05 124.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 122.715 0.406 . . . . 71.239999999999995 109.965 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.64 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 68.9 m -119.87 119.65 34.16 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.819 -0.437 . . . . 73.420000000000002 109.819 176.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -134.1 115.87 21.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.545 0.688 . . . . 54.409999999999997 111.278 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -108.49 96.54 6.42 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.002 -0.74 . . . . 55.100000000000001 109.002 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 38.2 p90 -106.38 135.6 47.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.392 0.615 . . . . 72.409999999999997 111.245 -175.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -111.58 139.0 47.38 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.088 -0.96 . . . . 54.009999999999998 109.401 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.731 HG21 ' HG3' ' A' ' 39' ' ' ARG . 26.4 mt -122.76 106.81 18.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.865 -0.607 . . . . 60.229999999999997 109.449 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.642 ' HB3' ' HG2' ' A' ' 77' ' ' GLU . 49.2 tptt -100.87 116.39 32.64 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.349 -0.54 . . . . 71.439999999999998 110.363 -176.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.743 ' HA ' HG12 ' A' ' 76' ' ' VAL . 4.7 m-20 -75.22 103.67 5.48 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.899 -1.046 . . . . 73.409999999999997 109.192 176.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.4 mt -97.78 -169.69 1.87 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.818 -0.628 . . . . 74.099999999999994 110.958 -173.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' A' ' 73' ' ' GLU . 5.8 pt-20 -89.85 101.55 14.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.448 -0.796 . . . . 60.32 110.687 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.01 -11.0 73.5 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.673 -0.694 . . . . 51.43 112.645 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -156.52 179.0 9.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.751 -0.463 . . . . 74.340000000000003 109.751 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.743 HG12 ' HA ' ' A' ' 71' ' ' ASP . 29.8 m -137.03 154.91 31.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 110.065 -0.346 . . . . 62.25 110.065 174.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.642 ' HG2' ' HB3' ' A' ' 70' ' ' LYS . 12.8 pt-20 -113.89 126.12 54.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.625 0.726 . . . . 73.439999999999998 110.218 174.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -97.45 107.73 20.31 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.673 -1.148 . . . . 73.450000000000003 107.923 174.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -113.57 100.08 8.23 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.531 -0.759 . . . . 73.519999999999996 109.563 -173.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -108.49 124.57 50.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.162 0.506 . . . . 51.140000000000001 111.884 -174.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.28 101.01 12.47 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.661 -0.7 . . . . 65.209999999999994 110.036 172.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -90.09 117.21 28.69 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.695 -0.483 . . . . 75.010000000000005 109.695 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.64 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 10.0 m -109.56 105.32 14.58 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.039 -0.528 . . . . 61.25 110.413 -176.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.415 ' HB3' ' HB2' ' A' ' 89' ' ' GLU . 99.2 m-85 -96.72 157.02 16.1 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.813 -0.63 . . . . 55.520000000000003 109.813 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.1 m -83.41 -16.21 46.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.211 0.529 . . . . 74.219999999999999 110.387 -177.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.575 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 21.6 m -134.19 141.24 46.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.14 -0.689 . . . . 74.0 109.14 174.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.572 ' O ' HG12 ' A' ' 91' ' ' ILE . 29.3 tt0 -65.6 -27.02 68.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.784 0.326 . . . . 71.129999999999995 110.25 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.79 77.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.93 -0.577 . . . . 74.409999999999997 110.467 175.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.575 ' HB3' ' HA ' ' A' ' 57' ' ' SER . 45.7 mt-10 -65.86 -31.75 72.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.817 -0.629 . . . . 70.439999999999998 110.32 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -72.72 -49.85 28.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.688 -0.687 . . . . 63.439999999999998 110.638 -178.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.613 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 7.6 pt -67.6 -38.63 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.16 0.43 . . . . 63.219999999999999 112.16 -176.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 pp -65.95 -30.28 49.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 121.059 0.457 . . . . 71.439999999999998 110.144 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.578 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 53.9 t80 -68.91 -50.5 49.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.532 -0.758 . . . . 73.409999999999997 109.808 175.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.593 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 77.2 mm-40 -56.71 -38.34 72.19 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.578 -0.737 . . . . 73.099999999999994 112.08 178.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 82.9 mt -59.92 -53.46 57.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.657 -0.247 . . . . 72.200000000000003 110.992 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.1 m -60.72 -34.52 74.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.578 -0.283 . . . . 73.0 110.931 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 74.7 mt -63.09 -40.83 98.81 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.966 0.412 . . . . 74.049999999999997 110.663 177.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.593 ' NH1' ' HB3' ' A' ' 94' ' ' GLU . 48.5 mtt85 -67.95 -40.73 83.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.915 -0.584 . . . . 75.439999999999998 111.049 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.0 m -64.59 -34.67 78.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.003 0.43 . . . . 64.439999999999998 110.935 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.5 tp . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.109 0.481 . . . . 74.420000000000002 110.58 179.563 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.458 ' C ' HD22 ' A' ' 27' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.528 -0.545 . . . . 63.229999999999997 109.528 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 67.1 m -104.97 13.25 31.3 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.033 0.444 . . . . 71.420000000000002 110.474 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.531 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 34.7 m -105.59 120.34 41.41 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.743 -0.662 . . . . 52.130000000000003 110.478 177.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.553 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 38.0 t -98.04 125.37 42.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.849 0.357 . . . . 65.549999999999997 110.383 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -100.57 112.02 24.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.766 -0.652 . . . . 62.310000000000002 109.585 174.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -120.58 117.89 28.77 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.038 -0.528 . . . . 74.310000000000002 110.116 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -115.24 113.38 23.81 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.183 -0.462 . . . . 74.150000000000006 109.909 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HD3' ' N ' ' A' ' 35' ' ' PHE . 1.5 tmt_? -123.23 134.94 54.08 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.423 -0.584 . . . . 73.040000000000006 109.423 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.425 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 78.2 m-85 -92.59 128.73 38.55 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.81 -0.632 . . . . 71.299999999999997 110.379 -178.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -121.14 169.06 10.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.249 -0.432 . . . . 74.019999999999996 110.323 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.58 -57.9 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.36 -0.382 . . . . 74.340000000000003 111.135 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.0 p -120.75 165.1 15.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.374 -0.376 . . . . 62.130000000000003 111.401 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -66.37 -21.97 66.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.439 0.638 . . . . 75.420000000000002 109.616 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -67.59 -45.67 74.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.302 -0.863 . . . . 71.329999999999998 109.88 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.99 -28.24 66.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.296 -0.865 . . . . 71.109999999999999 110.606 175.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.568 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -74.04 -51.41 15.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.835 -0.621 . . . . 71.030000000000001 110.82 -179.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.54 -36.67 83.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.044 -0.526 . . . . 70.209999999999994 111.165 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.9 m -65.71 -28.4 69.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.227 -0.442 . . . . 75.109999999999999 111.022 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.414 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 76.2 t80 -79.76 -44.62 20.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.952 0.405 . . . . 62.229999999999997 110.032 178.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.429 ' HA ' ' HB2' ' A' ' 49' ' ' LEU . 34.8 tpp -69.12 -39.13 79.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.937 -0.574 . . . . 61.229999999999997 111.863 -175.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 54.9 m -60.15 -44.79 94.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.587 0.232 . . . . 73.310000000000002 111.498 -178.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -74.22 -26.79 60.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.822 0.344 . . . . 55.450000000000003 110.39 177.44 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.457 HD13 HD12 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -61.75 -29.66 70.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.407 -0.36 . . . . 64.200000000000003 110.737 175.042 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HE2' HG11 ' A' ' 65' ' ' VAL . 2.2 mptm? -60.4 -34.66 74.23 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.259 -0.428 . . . . 71.340000000000003 110.66 175.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.52 -43.14 90.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.299 0.571 . . . . 61.310000000000002 110.139 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.633 HD11 HD13 ' A' ' 100' ' ' LEU . 92.1 mt -62.66 -50.17 72.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.348 -0.842 . . . . 61.530000000000001 111.074 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.32 92.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 60.43 111.467 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.44 ' HA ' ' HA3' ' A' ' 62' ' ' GLY . . . -61.57 -42.31 98.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 44.340000000000003 111.384 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.67 -26.83 37.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.253 -0.43 . . . . 73.120000000000005 111.342 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.14 -53.43 11.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.35 -0.386 . . . . 72.5 111.262 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.505 ' HB3' ' HA2' ' A' ' 62' ' ' GLY . 48.3 t -88.17 -66.46 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.458 -0.337 . . . . 71.409999999999997 110.865 -177.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m 68.28 16.64 9.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.444 -0.798 . . . . 53.009999999999998 112.084 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.95 -78.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.689 0.281 . . . . 51.310000000000002 110.818 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -100.19 -62.1 1.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.403 0.62 . . . . 72.140000000000001 109.536 173.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -125.56 -19.69 4.92 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.123 -0.944 . . . . 71.530000000000001 109.104 173.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.505 ' HA2' ' HB3' ' A' ' 57' ' ' SER . . . 137.09 71.61 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.509 -0.853 . . . . 64.340000000000003 112.434 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 63.84 -173.6 0.17 Allowed 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 122.857 0.463 . . . . 74.049999999999997 111.623 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.418 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 70.9 m -110.19 122.66 48.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.834 -0.621 . . . . 51.420000000000002 109.86 176.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.432 HG11 ' HE2' ' A' ' 50' ' ' LYS . 4.7 p -107.2 117.31 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.653 0.74 . . . . 42.439999999999998 111.814 -178.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.85 98.81 6.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.301 -0.863 . . . . 64.0 109.242 172.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -121.19 158.55 27.78 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.712 -0.395 . . . . 75.129999999999995 110.448 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -135.87 162.94 31.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.808 -0.633 . . . . 75.019999999999996 111.317 174.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.2 mt -127.57 104.94 13.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.613 -1.176 . . . . 73.219999999999999 108.981 175.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.758 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 88.3 tttt -92.86 118.38 31.06 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.059 0.457 . . . . 55.310000000000002 110.082 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -77.12 106.8 9.06 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.162 -0.926 . . . . 51.210000000000001 109.501 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 94.7 mt -101.33 -174.62 2.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.238 -0.437 . . . . 75.349999999999994 110.57 -176.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -94.95 99.6 11.59 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.098 0.475 . . . . 73.329999999999998 110.393 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.3 6.55 68.54 Favored Glycine 0 CA--C 1.515 0.085 0 CA-C-N 115.762 -0.654 . . . . 75.219999999999999 112.419 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 18.9 pt20 -170.79 179.47 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.328 -0.619 . . . . 74.25 109.328 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.9 m -137.41 154.81 30.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.844 0.354 . . . . 73.239999999999995 110.443 175.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.758 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 28.7 tt0 -104.56 113.47 27.06 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.931 -0.577 . . . . 75.329999999999998 110.014 177.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.568 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.1 tm? -93.43 109.1 20.68 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.146 -1.057 . . . . 51.0 108.146 174.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -113.17 112.02 23.08 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.723 -0.671 . . . . 75.439999999999998 110.029 -173.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.47 136.32 52.11 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.916 0.389 . . . . 73.239999999999995 111.473 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.553 ' HA ' ' O ' ' A' ' 30' ' ' SER . . . -129.39 106.82 9.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.794 -0.639 . . . . 71.120000000000005 109.815 172.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.531 ' O ' ' HA ' ' A' ' 29' ' ' THR . 91.4 m-85 -105.56 116.39 31.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.953 -0.567 . . . . 75.329999999999998 110.475 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.418 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 82.6 m -97.58 107.57 20.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.207 -0.451 . . . . 71.010000000000005 110.278 176.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.409 ' HB3' ' HB2' ' A' ' 89' ' ' GLU . 97.6 m-85 -90.76 171.76 9.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.96 -0.564 . . . . 52.43 110.53 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.71 -46.83 43.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.406 0.622 . . . . 64.030000000000001 109.852 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 81.5 m -134.35 158.97 42.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.445 -0.798 . . . . 74.510000000000005 109.791 175.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.485 ' O ' HG12 ' A' ' 91' ' ' ILE . 26.0 tt0 -60.55 -23.21 64.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.376 -0.375 . . . . 71.319999999999993 111.818 -177.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.63 74.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.816 0.341 . . . . 54.299999999999997 111.135 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 12.0 mt-10 -73.16 -28.69 62.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 71.340000000000003 110.65 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.424 ' HE2' ' HG3' ' A' ' 87' ' ' GLN . 56.8 ttp -75.26 -46.62 32.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 64.329999999999998 110.852 -177.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.513 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 16.4 pt -63.98 -40.86 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.482 -0.326 . . . . 74.200000000000003 111.841 -178.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 44.0 pt -66.59 -31.55 54.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.975 0.417 . . . . 62.409999999999997 110.492 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.597 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 79.1 t80 -67.61 -47.91 68.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.795 -0.638 . . . . 71.439999999999998 110.109 178.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -56.38 -44.31 80.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.555 . . . . 72.049999999999997 111.191 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 86.8 mt -62.25 -45.59 92.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 73.439999999999998 110.503 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.8 m -61.84 -32.8 73.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.04 -0.527 . . . . 75.219999999999999 111.303 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 93.8 mt -61.87 -47.01 86.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.022 0.439 . . . . 75.239999999999995 110.503 176.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -65.54 -39.71 92.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.901 -0.59 . . . . 74.400000000000006 110.439 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.9 m -71.41 -10.21 59.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 75.439999999999998 111.677 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.633 HD13 HD11 ' A' ' 52' ' ' LEU . 10.1 tt . . . . . 0 C--N 1.325 -0.462 0 CA-C-O 120.836 0.35 . . . . 74.530000000000001 110.125 178.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 109.486 -0.561 . . . . 70.450000000000003 109.486 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.5 m -104.59 66.02 0.78 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.221 0.534 . . . . 73.430000000000007 109.637 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 89.8 m -144.38 126.48 15.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.717 -0.674 . . . . 72.230000000000004 111.753 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.1 m -96.92 105.41 17.55 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.107 -0.951 . . . . 73.319999999999993 109.513 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.71 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -98.67 113.99 26.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.877 0.846 . . . . 74.200000000000003 109.77 178.439 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -116.15 118.1 31.9 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.659 -1.155 . . . . 54.420000000000002 110.522 -176.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 5.7 m -118.79 118.12 30.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.065 -0.516 . . . . 55.409999999999997 109.924 177.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' A' ' 35' ' ' PHE . 2.3 tmt_? -142.81 141.96 31.76 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.501 -0.555 . . . . 71.420000000000002 109.501 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.413 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 92.5 m-85 -88.08 136.25 33.06 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.177 -0.465 . . . . 72.549999999999997 109.994 -178.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.557 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 64.9 m-85 -123.99 164.03 20.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.677 -0.238 . . . . 71.099999999999994 110.591 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.588 ' O ' ' HA ' ' A' ' 75' ' ' GLN . . . -56.21 -50.04 72.37 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.74 0.65 . . . . 73.450000000000003 112.107 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.1 p -140.86 170.92 14.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.423 -0.353 . . . . 64.420000000000002 110.635 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.462 ' HA ' HG21 ' A' ' 76' ' ' VAL . 19.3 ptt180 -58.95 -28.37 66.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.156 0.503 . . . . 72.5 110.105 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.47 -44.94 95.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.586 -0.734 . . . . 62.200000000000003 110.977 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.561 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 51.8 mm-40 -60.41 -28.83 68.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.189 -0.914 . . . . 71.310000000000002 110.592 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.704 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -70.43 -50.81 34.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.767 -0.651 . . . . 61.009999999999998 110.291 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.57 -35.34 75.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.882 -0.599 . . . . 71.209999999999994 110.721 175.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.6 m -65.05 -28.53 69.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.602 -0.726 . . . . 75.25 111.708 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.494 ' O ' HD23 ' A' ' 49' ' ' LEU . 56.2 t80 -85.52 -29.75 23.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.128 0.489 . . . . 73.200000000000003 110.08 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.634 ' HG3' ' HE3' ' A' ' 50' ' ' LYS . 32.5 tpp -73.03 -41.12 64.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.738 -0.664 . . . . 73.310000000000002 112.071 -173.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.921 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 18.9 m -53.35 -56.0 20.32 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.386 0.513 . . . . 74.409999999999997 112.386 -174.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -67.96 -27.42 66.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.888 0.375 . . . . 53.439999999999998 111.629 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 45' ' ' PHE . 3.5 mm? -70.88 -29.04 65.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.523 -0.308 . . . . 73.25 111.132 177.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.921 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 34.1 mttt -59.1 -42.31 90.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.027 0.441 . . . . 73.340000000000003 110.676 175.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.68 -41.45 95.13 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.555 -0.748 . . . . 55.039999999999999 110.051 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.88 -44.7 65.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.298 -0.864 . . . . 73.230000000000004 111.325 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.38 97.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 72.239999999999995 111.841 -176.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.28 90.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.969 0.414 . . . . 74.129999999999995 111.251 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.05 -17.54 59.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.024 -0.535 . . . . 65.120000000000005 111.277 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.01 -36.7 80.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.186 -0.461 . . . . 63.140000000000001 111.207 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.588 ' HB2' ' HA2' ' A' ' 62' ' ' GLY . 46.5 m -102.64 -25.75 13.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.637 0.256 . . . . 52.539999999999999 111.312 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.4 m 70.02 -17.51 0.25 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.093 0.775 . . . . 70.120000000000005 113.093 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.28 71.47 4.75 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.223 -0.298 . . . . 70.530000000000001 111.533 -177.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 59.04 -85.42 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.686 0.795 . . . . 73.010000000000005 112.348 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -82.77 -20.9 34.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.604 -0.725 . . . . 63.130000000000003 110.329 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.588 ' HA2' ' HB2' ' A' ' 57' ' ' SER . . . 89.41 -99.07 2.52 Favored Glycine 0 N--CA 1.441 -0.994 0 N-CA-C 109.634 -1.386 . . . . 72.420000000000002 109.634 -169.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 83' ' ' THR . . . -167.36 -168.54 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.553 -0.165 . . . . 55.329999999999998 110.553 173.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.429 ' HB2' ' OG1' ' A' ' 83' ' ' THR . 67.7 m -56.39 125.07 20.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.643 0.608 . . . . 53.549999999999997 112.643 -174.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 p -123.45 115.25 44.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.543 0.687 . . . . 73.340000000000003 109.619 172.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.07 115.34 15.66 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.554 -0.748 . . . . 73.420000000000002 109.592 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.548 ' HA ' ' O ' ' A' ' 79' ' ' ASP . 45.4 p90 -124.35 138.33 54.39 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.321 0.581 . . . . 73.030000000000001 111.037 -179.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.491 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 37.7 mtmt -105.86 148.21 27.84 Favored 'General case' 0 CA--C 1.501 -0.908 0 CA-C-N 115.32 -0.855 . . . . 72.109999999999999 109.823 176.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 60.9 mt -122.98 102.21 11.06 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 N-CA-C 107.821 -1.177 . . . . 61.539999999999999 107.821 170.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.413 ' HD2' ' HA ' ' A' ' 70' ' ' LYS . 25.6 tptp -89.2 118.37 28.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.241 0.543 . . . . 64.439999999999998 110.205 -176.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -68.32 112.14 5.02 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.778 -1.101 . . . . 72.219999999999999 110.209 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 78.6 mt -116.35 179.1 4.09 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.716 -0.476 . . . . 75.299999999999997 109.716 175.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -87.48 106.04 17.71 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.282 -0.417 . . . . 71.129999999999995 109.882 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.55 -2.45 84.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.533 -0.842 . . . . 52.100000000000001 112.481 175.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.588 ' HA ' ' O ' ' A' ' 37' ' ' ALA . 20.2 pt20 -165.66 178.13 6.85 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.841 -0.429 . . . . 75.519999999999996 109.841 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.462 HG21 ' HA ' ' A' ' 39' ' ' ARG . 27.4 m -141.61 162.13 20.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.822 0.344 . . . . 71.150000000000006 110.879 176.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.403 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 40.2 tt0 -105.37 117.4 33.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.077 -0.511 . . . . 75.299999999999997 109.725 173.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.704 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.3 tm? -96.53 113.92 25.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.897 -0.779 . . . . 74.299999999999997 108.897 175.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.548 ' O ' ' HA ' ' A' ' 67' ' ' TYR . 11.0 t70 -120.98 106.39 11.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.742 -0.663 . . . . 74.519999999999996 110.036 -176.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.83 124.13 47.6 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.784 0.326 . . . . 75.120000000000005 111.561 -176.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.57 102.97 12.0 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.817 -0.438 . . . . 71.219999999999999 109.817 175.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' A' ' 29' ' ' THR . 87.9 m-85 -94.09 126.68 39.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.429 -0.351 . . . . 71.120000000000005 110.259 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.719 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 21.5 m -96.84 146.75 24.62 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.611 -0.515 . . . . 74.230000000000004 109.611 178.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.708 ' HB3' ' HB2' ' A' ' 89' ' ' GLU . 93.5 m-85 -124.2 147.35 48.08 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.222 -0.288 . . . . 73.510000000000005 110.222 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.3 m -65.51 -30.2 70.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.126 -0.488 . . . . 75.209999999999994 110.86 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.651 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 33.5 m -136.09 162.66 32.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.026 -0.534 . . . . 75.030000000000001 109.906 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.573 ' O ' ' HB3' ' A' ' 90' ' ' MET . 29.1 tt0 -75.75 -26.1 57.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.977 0.418 . . . . 75.010000000000005 110.045 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.59 88.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 63.109999999999999 110.082 173.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.708 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 1.3 mm-40 -62.79 -38.39 90.46 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.952 -0.567 . . . . 63.409999999999997 109.582 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.573 ' HB3' ' O ' ' A' ' 87' ' ' GLN . 11.5 tpt -54.05 -58.62 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.131 -0.941 . . . . 74.340000000000003 111.16 177.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.4 pt -70.91 -37.23 67.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.898 0.703 . . . . 73.120000000000005 112.898 -173.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 pp -67.02 -30.61 50.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 120.472 -0.491 . . . . 70.25 110.683 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.569 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 69.5 t80 -67.97 -47.81 67.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.733 -0.469 . . . . 72.540000000000006 109.733 175.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.575 ' O ' ' HD3' ' A' ' 98' ' ' ARG . 6.8 mm-40 -56.18 -47.71 77.78 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.673 -0.694 . . . . 73.140000000000001 110.875 176.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 98.1 mt -55.04 -45.15 75.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.182 0.515 . . . . 71.120000000000005 110.881 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.8 m -64.72 -38.58 91.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.682 -0.69 . . . . 75.219999999999999 111.357 -177.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 71.0 mt -63.04 -40.01 96.45 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.999 0.428 . . . . 72.310000000000002 111.099 -179.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.575 ' HD3' ' O ' ' A' ' 94' ' ' GLU . 9.7 mpt_? -74.79 -30.56 61.47 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.023 -0.535 . . . . 71.430000000000007 110.103 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.7 m -75.66 -0.74 21.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.149 0.499 . . . . 64.219999999999999 110.585 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.6 tt . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.826 -0.624 . . . . 60.310000000000002 110.592 -177.668 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 . . . . . 0 CA--C 1.522 -0.129 0 N-CA-C 108.603 -0.888 . . . . 73.299999999999997 108.603 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.9 m -111.03 3.91 19.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.383 0.611 . . . . 62.020000000000003 109.739 173.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.7 m -116.44 121.14 40.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.488 -0.778 . . . . 75.340000000000003 109.961 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.835 ' HB2' ' HG3' ' A' ' 90' ' ' MET . 11.6 t -104.17 127.55 51.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.986 0.422 . . . . 33.539999999999999 110.573 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -98.93 127.94 44.97 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.993 -0.549 . . . . 73.049999999999997 109.741 175.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -119.86 118.7 31.46 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.675 -0.491 . . . . 73.510000000000005 109.675 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m -128.57 116.66 19.99 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.134 -0.321 . . . . 45.43 110.134 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -137.89 142.62 40.66 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.092 -0.336 . . . . 72.109999999999999 110.092 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -91.03 144.29 25.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.419 -0.355 . . . . 73.540000000000006 110.665 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.457 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 89.4 m-85 -132.96 157.3 45.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.335 -0.393 . . . . 74.109999999999999 110.678 178.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.26 83.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 71.409999999999997 111.411 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -120.14 154.13 35.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.198 -0.455 . . . . 35.439999999999998 110.064 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.727 ' HA ' HG21 ' A' ' 76' ' ' VAL . 69.5 ttt-85 -58.87 -35.28 72.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.348 0.594 . . . . 74.030000000000001 110.356 175.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.55 -38.27 86.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.349 -0.841 . . . . 71.200000000000003 111.543 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.457 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 30.6 mm-40 -55.33 -33.03 62.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.188 -0.915 . . . . 64.030000000000001 110.771 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.501 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -76.26 -43.35 42.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.663 -0.698 . . . . 64.340000000000003 110.353 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -58.88 -47.86 83.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.736 -0.666 . . . . 72.120000000000005 110.38 178.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -64.15 -30.59 71.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.582 -0.735 . . . . 64.049999999999997 111.37 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.549 ' O ' HD23 ' A' ' 49' ' ' LEU . 38.1 t80 -75.96 -37.32 58.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.991 0.424 . . . . 72.420000000000002 110.233 -177.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.422 ' HE1' ' HB2' ' A' ' 80' ' ' ALA . 42.6 tpp -64.54 -26.24 68.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.063 -0.517 . . . . 71.109999999999999 111.107 -179.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.45 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 6.4 m -59.56 -48.54 81.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.392 -0.367 . . . . 70.430000000000007 111.642 -177.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -72.83 -28.35 62.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.83 0.348 . . . . 74.409999999999997 110.887 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 45' ' ' PHE . 3.7 mm? -62.56 -39.43 93.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.039 -0.528 . . . . 74.349999999999994 110.672 176.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.45 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 42.0 mttt -59.34 -47.65 84.62 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.403 -0.362 . . . . 73.010000000000005 111.305 177.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -59.51 -45.81 90.66 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.189 -0.46 . . . . 63.329999999999998 110.948 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.515 HD13 HD23 ' A' ' 97' ' ' LEU . 98.6 mt -64.73 -40.12 94.8 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.542 -0.754 . . . . 74.409999999999997 111.193 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.12 93.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.712 0.291 . . . . 71.140000000000001 110.99 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.28 -30.75 71.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 53.130000000000003 111.336 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.69 -28.73 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.424 -0.353 . . . . 71.129999999999995 111.245 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.27 -43.04 22.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 52.100000000000001 111.889 -177.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 p -72.89 130.66 40.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.223 0.535 . . . . 60.210000000000001 110.844 -177.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.3 m -106.98 18.63 21.55 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.486 0.66 . . . . 72.430000000000007 110.089 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.27 8.67 15.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.398 -0.819 . . . . 52.200000000000003 111.631 -177.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 70.13 -71.58 0.12 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.489 0.716 . . . . 61.0 112.59 174.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.41 -34.61 78.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.889 0.376 . . . . 75.409999999999997 111.011 -176.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.0 -152.65 24.78 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.879 -0.677 . . . . 55.399999999999999 111.797 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.96 157.36 43.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.824 -0.435 . . . . 54.140000000000001 109.824 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.936 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 66.7 m -73.83 106.81 5.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.457 -0.338 . . . . 63.149999999999999 110.464 178.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.495 HG22 ' HD2' ' A' ' 67' ' ' TYR . 4.0 p -116.0 115.72 50.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 121.402 0.62 . . . . 70.109999999999999 110.847 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.559 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . . . -100.09 96.74 7.71 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.775 -0.648 . . . . 61.219999999999999 109.673 175.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.495 ' HD2' HG22 ' A' ' 65' ' ' VAL . 4.9 p90 -99.34 120.08 38.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.213 0.53 . . . . 74.209999999999994 111.13 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -128.14 148.47 50.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.69 -0.686 . . . . 74.420000000000002 110.593 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.503 HG12 HD23 ' A' ' 78' ' ' LEU . 60.2 mt -131.9 105.39 9.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.109 -0.95 . . . . 55.25 109.103 177.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -86.79 115.99 24.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.605 0.717 . . . . 75.519999999999996 110.495 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.643 ' HA ' HG12 ' A' ' 76' ' ' VAL . 7.0 p-10 -80.11 105.36 11.33 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.265 -1.334 . . . . 72.530000000000001 110.119 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 72.4 mt -107.32 -174.53 2.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.72 -0.673 . . . . 73.510000000000005 110.182 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -87.87 104.78 16.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.997 0.427 . . . . 53.539999999999999 110.779 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.79 -17.75 58.72 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.914 -0.66 . . . . 74.219999999999999 112.643 175.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 14.2 pt20 -158.69 172.0 19.06 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.148 -0.316 . . . . 70.109999999999999 110.148 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.727 HG21 ' HA ' ' A' ' 39' ' ' ARG . 27.1 m -134.81 164.11 34.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.806 0.336 . . . . 73.230000000000004 110.872 178.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -116.9 117.2 29.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.925 -0.58 . . . . 72.540000000000006 110.11 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.503 HD23 HG12 ' A' ' 69' ' ' ILE . 3.2 tm? -89.13 113.67 24.86 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.191 -1.04 . . . . 52.43 108.191 174.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -126.96 119.57 27.02 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.764 -0.653 . . . . 73.200000000000003 110.409 -174.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 66' ' ' ALA . . . -130.32 133.15 46.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.18 0.514 . . . . 53.399999999999999 111.462 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.559 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . . . -109.0 108.16 18.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.567 -0.742 . . . . 50.520000000000003 110.063 174.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -97.9 112.78 24.57 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.392 -0.367 . . . . 71.230000000000004 110.193 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.936 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 11.7 m -102.85 105.83 16.29 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.106 -0.497 . . . . 74.219999999999999 110.261 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -95.46 -168.57 1.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.23 -0.441 . . . . 73.230000000000004 110.418 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.8 m -99.49 -43.58 6.48 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.328 -0.619 . . . . 61.020000000000003 109.328 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 34.2 m -116.65 148.65 40.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.21 -0.905 . . . . 64.439999999999998 110.108 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.569 ' O ' HG12 ' A' ' 91' ' ' ILE . 27.1 tt0 -61.07 -31.23 70.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.25 -0.432 . . . . 75.219999999999999 110.47 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.539 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -52.78 -46.33 67.53 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.891 -0.595 . . . . 32.5 110.861 176.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.99 -35.93 82.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.349 -0.387 . . . . 65.010000000000005 110.569 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.835 ' HG3' ' HB2' ' A' ' 30' ' ' SER . 20.6 ttt -64.11 -57.86 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.828 -0.624 . . . . 72.319999999999993 110.823 178.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 87' ' ' GLN . 19.2 pt -65.37 -39.6 85.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.407 0.521 . . . . 73.319999999999993 112.407 -174.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 88' ' ' ALA . 40.1 pt -65.36 -30.99 51.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 120.747 -0.381 . . . . 75.0 110.479 179.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.548 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 75.1 t80 -67.89 -51.6 46.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.961 -0.563 . . . . 70.099999999999994 110.889 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.464 ' HA ' HD12 ' A' ' 97' ' ' LEU . 7.1 pt-20 -73.83 -27.61 61.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.588 -0.278 . . . . 71.329999999999998 111.711 -176.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 80.5 mt -68.99 -42.27 76.72 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.9 -0.407 . . . . 71.099999999999994 109.9 173.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.6 t -60.82 -36.78 79.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.009 -0.542 . . . . 73.439999999999998 110.6 176.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 94.1 mt -53.73 -48.94 69.14 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.959 0.409 . . . . 70.5 110.599 176.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -65.89 -39.3 90.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.772 -0.649 . . . . 73.409999999999997 110.974 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.8 t -64.68 -42.54 95.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 52.030000000000001 110.827 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.4 tp . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.335 -0.393 . . . . 74.310000000000002 110.69 -179.219 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.522 -0.104 0 N-CA-C 110.458 -0.201 . . . . 73.430000000000007 110.458 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.605 ' HA ' ' HE2' ' A' ' 90' ' ' MET . 75.4 m -102.6 14.75 31.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.994 0.426 . . . . 74.439999999999998 111.572 -177.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.9 m -106.44 131.21 53.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.292 -0.413 . . . . 71.510000000000005 110.219 176.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 24.8 t -97.98 116.23 29.78 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.655 -0.498 . . . . 72.439999999999998 109.655 178.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.58 113.17 25.42 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.668 -0.493 . . . . 74.129999999999995 109.668 177.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.462 ' HE2' ' HE2' ' A' ' 45' ' ' PHE . 65.1 t80 -121.28 118.63 30.03 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.026 -0.534 . . . . 74.239999999999995 110.197 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -122.95 131.14 53.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.966 -0.561 . . . . 53.539999999999999 110.478 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HD2' HH11 ' A' ' 34' ' ' ARG . 7.9 mmt85 -137.59 154.59 49.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.299 -0.41 . . . . 73.319999999999993 111.619 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -107.27 135.05 49.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.165 -0.471 . . . . 72.209999999999994 110.011 176.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -132.68 168.25 18.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.313 -0.403 . . . . 50.100000000000001 110.498 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.89 -56.82 7.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.072 0.463 . . . . 51.020000000000003 111.031 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.551 ' OG1' ' HG2' ' A' ' 41' ' ' GLU . 79.6 p -124.3 166.43 15.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.044 -0.525 . . . . 53.329999999999998 110.434 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.753 ' HG3' HG21 ' A' ' 69' ' ' ILE . 26.5 ttt85 -64.32 -29.41 70.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.118 0.485 . . . . 73.310000000000002 109.913 177.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -58.74 -47.45 84.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.341 -0.845 . . . . 74.420000000000002 110.546 175.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.551 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 42.2 mm-40 -60.03 -29.31 68.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.041 -0.981 . . . . 73.140000000000001 110.948 178.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.95 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.851 -0.613 . . . . 71.540000000000006 110.767 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -63.57 -34.58 78.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 72.409999999999997 110.2 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.1 t -59.77 -38.81 82.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.498 -0.773 . . . . 74.450000000000003 110.499 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.462 ' HE2' ' HE2' ' A' ' 32' ' ' PHE . 5.9 t80 -80.04 -28.97 39.22 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.954 0.407 . . . . 74.129999999999995 110.14 -176.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 42.6 tpp -68.19 -30.45 69.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 71.25 110.191 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -62.71 -47.54 83.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 60.539999999999999 110.723 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.0 ptmt -73.36 -28.16 61.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.521 -0.309 . . . . 75.519999999999996 111.06 178.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -39.11 88.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.75 0.309 . . . . 70.140000000000001 110.188 176.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -60.16 -40.98 91.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 70.0 110.996 174.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -64.72 -44.49 90.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 73.219999999999999 110.384 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 96.8 mt -61.49 -42.51 98.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 73.030000000000001 110.686 178.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.26 96.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 55.520000000000003 111.034 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.57 98.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 72.5 111.12 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.67 77.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.516 . . . . 70.319999999999993 111.154 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.16 -51.97 18.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.002 -0.544 . . . . 53.200000000000003 111.466 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.8 p -63.83 131.49 47.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.703 0.764 . . . . 72.150000000000006 111.326 -175.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.0 m -121.81 -9.7 8.79 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.171 -0.922 . . . . 53.450000000000003 109.205 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.55 ' CB ' ' HB2' ' A' ' 85' ' ' SER . . . -64.84 -59.97 3.61 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.903 -1.044 . . . . 72.329999999999998 112.301 -177.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -137.4 -87.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.483 -0.487 . . . . 74.120000000000005 112.158 -175.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -127.96 -23.16 3.39 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.564 0.697 . . . . 74.420000000000002 109.352 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 179.03 -139.93 4.18 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.174 -0.921 . . . . 62.450000000000003 112.146 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -145.13 160.52 41.3 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.373 -0.232 . . . . 75.150000000000006 110.373 -176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.583 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 49.0 m -69.94 108.78 4.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.254 -0.43 . . . . 61.5 110.016 176.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.502 HG22 ' HD1' ' A' ' 67' ' ' TYR . 3.9 p -100.8 115.95 43.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.542 0.687 . . . . 73.099999999999994 111.299 -177.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.05 105.93 11.92 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.478 -0.783 . . . . 52.43 109.146 173.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.502 ' HD1' HG22 ' A' ' 65' ' ' VAL . 42.3 p90 -132.19 159.26 39.5 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.328 -0.397 . . . . 71.349999999999994 111.067 -174.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.436 ' CD ' ' HB3' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -134.86 148.58 50.16 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.156 0.503 . . . . 73.140000000000001 109.798 170.425 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.753 HG21 ' HG3' ' A' ' 39' ' ' ARG . 45.4 mt -112.09 104.75 17.55 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 108.165 -1.05 . . . . 64.239999999999995 108.165 173.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -92.5 120.2 32.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.255 0.55 . . . . 73.319999999999993 110.781 -175.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.567 ' HA ' HG12 ' A' ' 76' ' ' VAL . 12.5 m-20 -77.82 94.25 4.48 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.833 -1.076 . . . . 72.319999999999993 108.622 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 95.9 mt -88.3 -167.41 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.232 0.539 . . . . 73.420000000000002 111.007 -174.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -93.89 97.02 10.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.695 -0.684 . . . . 71.519999999999996 110.725 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.58 -6.28 77.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.979 -0.629 . . . . 50.32 112.409 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.432 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 9.7 pt20 -160.71 -178.36 6.81 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.104 -0.702 . . . . 73.400000000000006 109.104 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.567 HG12 ' HA ' ' A' ' 71' ' ' ASP . 35.7 m -133.49 157.18 42.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.636 0.255 . . . . 74.349999999999994 110.755 176.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.4 ' HB2' HD11 ' A' ' 72' ' ' LEU . 43.0 tt0 -112.58 119.98 40.0 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.171 -0.468 . . . . 73.329999999999998 109.948 175.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.565 HD23 HG12 ' A' ' 69' ' ' ILE . 3.4 tm? -98.56 111.94 24.14 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.192 -1.04 . . . . 71.209999999999994 108.192 175.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.436 ' HB3' ' CD ' ' A' ' 68' ' ' LYS . 21.5 t70 -125.78 114.52 18.71 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.331 -0.395 . . . . 70.010000000000005 110.338 -176.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.58 127.02 47.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.171 -0.468 . . . . 31.210000000000001 111.538 -176.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 30' ' ' SER . . . -109.3 110.99 22.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.897 -0.592 . . . . 53.329999999999998 110.21 174.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -101.1 112.89 25.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.159 -0.473 . . . . 73.450000000000003 110.864 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.583 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 72.1 m -92.49 104.75 17.03 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.917 -0.401 . . . . 64.319999999999993 109.917 174.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -78.8 172.25 14.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.98 -0.554 . . . . 74.409999999999997 110.95 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.55 ' HB2' ' CB ' ' A' ' 59' ' ' ALA . 16.9 m -102.34 -19.41 15.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.131 0.491 . . . . 64.450000000000003 110.029 -176.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.606 ' HB3' ' HG2' ' A' ' 89' ' ' GLU . 42.7 t -123.43 151.58 42.51 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.652 -0.704 . . . . 31.449999999999999 109.19 173.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.65 ' O ' HG12 ' A' ' 91' ' ' ILE . 27.3 tt0 -74.36 -32.84 62.92 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.621 -0.431 . . . . 74.310000000000002 110.517 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.51 -48.3 81.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.286 -0.415 . . . . 64.430000000000007 111.178 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.606 ' HG2' ' HB3' ' A' ' 86' ' ' CYS . 15.0 pt-20 -64.93 -27.3 68.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 62.119999999999997 111.223 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.605 ' HE2' ' HA ' ' A' ' 28' ' ' CYS . 14.3 tmm? -75.64 -48.38 22.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.282 -0.417 . . . . 72.319999999999993 111.015 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.65 HG12 ' O ' ' A' ' 87' ' ' GLN . 7.2 pt -69.22 -34.52 63.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 112.086 0.402 . . . . 54.310000000000002 112.086 -176.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 pp -71.29 -29.91 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.708 -0.397 . . . . 65.019999999999996 110.214 176.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.689 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 72.6 t80 -64.52 -43.18 94.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.542 . . . . 72.409999999999997 109.597 175.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.427 ' O ' ' HD3' ' A' ' 98' ' ' ARG . 56.2 mm-40 -54.97 -44.59 74.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.466 -0.788 . . . . 72.329999999999998 110.885 177.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 67.9 mt -70.42 -47.74 59.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.196 -0.456 . . . . 73.109999999999999 111.103 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.5 m -54.4 -39.35 67.19 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.264 -0.426 . . . . 64.319999999999993 111.483 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 85.6 mt -57.57 -51.58 68.88 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.065 0.459 . . . . 73.040000000000006 111.546 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.427 ' HD3' ' O ' ' A' ' 94' ' ' GLU . 5.9 mpt_? -77.24 -30.94 54.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.919 -0.582 . . . . 73.209999999999994 111.383 -172.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.2 m -83.18 -0.36 48.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.338 -0.392 . . . . 60.119999999999997 111.354 -177.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.1 tp . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 120.866 0.365 . . . . 74.239999999999995 111.264 -178.451 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 121.265 0.555 . . . . 70.239999999999995 111.267 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.9 p -107.55 -6.06 17.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.769 -0.65 . . . . 54.130000000000003 109.84 175.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.2 m -92.48 117.34 29.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.627 -0.715 . . . . 52.149999999999999 110.175 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.658 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 23.2 t -98.27 116.2 30.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.543 -0.54 . . . . 71.400000000000006 109.543 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.774 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -104.72 160.35 15.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.055 -0.52 . . . . 71.150000000000006 110.2 -178.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -154.26 118.87 4.89 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.63 -0.714 . . . . 64.420000000000002 110.202 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.665 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 3.9 p -134.97 106.94 7.06 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.296 0.57 . . . . 63.020000000000003 110.629 175.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -127.2 143.98 51.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.564 -0.744 . . . . 74.329999999999998 110.039 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.47 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 98.3 m-85 -87.38 133.87 33.66 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.054 -0.521 . . . . 73.430000000000007 109.726 175.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.73 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 96.6 m-85 -117.7 161.65 19.33 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.877 -0.601 . . . . 74.329999999999998 110.085 -179.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.71 -43.18 98.13 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.362 0.413 . . . . 52.32 111.089 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.39 166.54 24.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.515 -0.55 . . . . 74.530000000000001 109.515 178.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.75 ' HA ' HG21 ' A' ' 76' ' ' VAL . 19.0 ttt180 -61.43 -29.34 69.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.676 0.274 . . . . 52.219999999999999 110.76 -179.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.62 -50.51 65.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.403 0.62 . . . . 64.409999999999997 110.528 174.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.73 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 42.4 mm-40 -57.37 -33.03 67.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.792 -1.095 . . . . 74.420000000000002 110.575 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.09 -52.16 10.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.731 -0.668 . . . . 44.520000000000003 111.315 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.694 ' HG2' HD13 ' A' ' 69' ' ' ILE . 43.5 mt-10 -63.26 -36.12 82.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 71.430000000000007 111.096 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 t -66.48 -32.22 73.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.162 -0.472 . . . . 53.130000000000003 110.305 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.535 ' O ' HD23 ' A' ' 49' ' ' LEU . 4.0 t80 -76.18 -30.09 57.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.756 -0.461 . . . . 72.400000000000006 109.756 -177.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 31.1 tpp -62.8 -37.04 85.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.081 0.467 . . . . 71.25 110.699 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.565 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 27.3 m -60.17 -49.11 78.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.89 -0.595 . . . . 62.210000000000001 111.213 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -71.13 -27.17 63.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.893 0.378 . . . . 74.019999999999996 111.089 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -62.67 -37.57 86.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 74.109999999999999 110.432 173.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.565 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 46.2 mttt -63.9 -40.81 97.38 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.728 -0.214 . . . . 33.340000000000003 110.686 175.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -57.57 -51.26 70.2 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.511 0.672 . . . . 71.340000000000003 109.854 175.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.73 -44.95 94.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.153 -0.93 . . . . 63.140000000000001 111.477 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.11 83.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.456 -0.338 . . . . 55.219999999999999 111.457 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.84 -35.7 80.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.25 111.517 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.9 -28.41 25.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.526 -0.306 . . . . 70.040000000000006 111.667 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.44 -26.26 32.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.956 0.354 . . . . 54.229999999999997 111.956 -176.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.1 p -89.83 133.69 34.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.465 0.65 . . . . 71.239999999999995 111.757 -174.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.6 m -83.45 6.23 20.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.284 -0.871 . . . . 71.030000000000001 110.697 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.81 2.01 40.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.808 -0.633 . . . . 73.400000000000006 110.888 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.2 t70 73.66 -64.1 0.41 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.901 0.751 . . . . 73.140000000000001 112.063 175.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.29 -32.57 68.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.907 0.384 . . . . 61.020000000000003 110.985 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.59 -132.16 4.81 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.648 -0.787 . . . . 64.010000000000005 111.864 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.9 168.57 24.1 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.049 -0.352 . . . . 52.229999999999997 110.049 -178.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.472 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 15.3 m -71.57 109.98 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.927 -0.397 . . . . 65.349999999999994 109.927 177.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 p -104.84 119.37 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.533 0.682 . . . . 70.049999999999997 111.487 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.82 130.2 50.93 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.114 -0.948 . . . . 42.149999999999999 108.456 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -146.44 154.47 41.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.375 0.607 . . . . 71.319999999999993 112.049 -173.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -124.29 142.3 51.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.908 -1.042 . . . . 75.010000000000005 110.043 175.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.694 HD13 ' HG2' ' A' ' 43' ' ' GLU . 45.6 mt -119.15 104.27 15.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 N-CA-C 108.039 -1.097 . . . . 64.5 108.039 174.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.756 ' HB3' ' HG2' ' A' ' 77' ' ' GLU . 40.8 tttm -115.29 110.11 18.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.881 0.848 . . . . 74.420000000000002 111.177 -168.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.799 ' HA ' HG12 ' A' ' 76' ' ' VAL . 4.3 m-20 -75.88 131.63 39.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 113.838 -1.528 . . . . 74.340000000000003 110.961 -175.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.4 mt -123.06 -170.6 2.14 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.088 -0.708 . . . . 53.340000000000003 109.088 173.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -95.82 101.3 12.97 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.873 -0.331 . . . . 54.229999999999997 110.47 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.94 0.09 68.92 Favored Glycine 0 C--O 1.235 0.187 0 C-N-CA 121.112 -0.566 . . . . 61.439999999999998 112.086 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -162.51 169.71 19.86 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.238 -0.653 . . . . 62.140000000000001 109.238 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.799 HG12 ' HA ' ' A' ' 71' ' ' ASP . 28.6 m -144.71 153.39 14.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 109.419 -0.585 . . . . 74.319999999999993 109.419 176.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.756 ' HG2' ' HB3' ' A' ' 70' ' ' LYS . 12.5 pt-20 -108.0 128.4 54.62 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.598 0.713 . . . . 72.430000000000007 110.302 174.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.665 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.1 tm? -102.98 111.13 23.32 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 108.049 -1.093 . . . . 74.450000000000003 108.049 174.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -118.29 108.81 15.56 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.018 -0.537 . . . . 71.209999999999994 110.13 -173.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.77 155.76 37.33 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.978 0.418 . . . . 52.310000000000002 111.384 -177.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -139.88 114.17 9.1 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.466 -0.788 . . . . 70.5 109.546 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -105.6 112.55 25.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.116 -0.493 . . . . 75.019999999999996 110.35 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.472 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 5.4 m -88.22 107.2 18.67 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.729 0.3 . . . . 64.409999999999997 110.268 179.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.441 ' HE2' ' HB3' ' A' ' 30' ' ' SER . 98.5 m-85 -91.97 165.73 13.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 71.420000000000002 110.582 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.9 m -79.55 -29.22 41.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.264 -0.426 . . . . 65.129999999999995 111.276 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.411 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 56.1 m -124.34 164.74 19.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.275 -0.42 . . . . 71.120000000000005 110.24 -178.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -80.52 -32.47 36.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.525 -0.307 . . . . 74.519999999999996 111.132 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.511 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.86 -38.18 69.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 110.92 178.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -62.16 -34.07 75.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.885 -0.598 . . . . 75.150000000000006 110.386 -179.516 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.658 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 11.5 tmm? -70.21 -50.76 36.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 74.109999999999999 110.262 -177.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.615 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.6 pt -67.19 -41.23 86.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.317 -0.401 . . . . 72.409999999999997 111.844 -177.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 88' ' ' ALA . 40.9 pt -66.63 -30.39 49.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 120.77 -0.372 . . . . 74.099999999999994 110.573 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.686 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 19.5 t80 -63.43 -48.45 77.71 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.387 -0.597 . . . . 70.120000000000005 109.387 176.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.461 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 58.0 mm-40 -55.47 -38.42 69.07 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.574 -0.739 . . . . 60.329999999999998 111.053 175.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 78.5 mt -66.16 -53.73 33.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.882 -0.599 . . . . 73.219999999999999 110.602 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.6 p -59.19 -37.53 77.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 72.219999999999999 112.21 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 80.8 mt -60.09 -49.09 79.0 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.121 0.486 . . . . 74.329999999999998 110.514 178.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.461 ' NH1' ' HB3' ' A' ' 94' ' ' GLU . 76.4 mtt85 -69.1 -33.36 73.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.477 -0.783 . . . . 73.319999999999993 111.22 -178.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 m -77.36 -34.85 54.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.933 -0.576 . . . . 62.109999999999999 111.718 -175.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 34.1 tp . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 120.917 0.389 . . . . 74.540000000000006 110.974 -177.078 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.3 p30 . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 109.621 -0.511 . . . . 74.120000000000005 109.621 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 m -112.55 13.91 20.11 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.202 0.525 . . . . 51.140000000000001 110.554 -175.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 83' ' ' THR . 41.6 m -95.1 128.81 42.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.728 -0.669 . . . . 74.5 110.408 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.673 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 9.2 t -97.61 104.3 16.32 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.277 -0.638 . . . . 62.439999999999998 109.277 177.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -97.69 119.93 37.15 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.582 -0.735 . . . . 72.25 110.543 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -126.83 119.51 27.0 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.123 -0.49 . . . . 60.140000000000001 109.819 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 t -126.19 113.57 17.19 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.857 -0.611 . . . . 61.100000000000001 109.771 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -138.69 150.67 46.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.414 -0.357 . . . . 60.109999999999999 110.138 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -105.14 129.59 53.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.771 0.32 . . . . 74.349999999999994 110.599 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -120.16 171.12 8.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.889 -0.596 . . . . 71.349999999999994 110.677 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.39 -54.77 23.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.395 . . . . 65.230000000000004 111.426 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.535 ' OG1' ' HG2' ' A' ' 41' ' ' GLU . 62.5 p -128.3 165.94 19.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.987 0.422 . . . . 74.109999999999999 111.264 -178.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.537 ' HG3' HG21 ' A' ' 69' ' ' ILE . 28.1 ttt-85 -63.03 -28.09 69.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.564 -0.744 . . . . 73.299999999999997 109.716 178.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.67 -50.15 73.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.197 -0.911 . . . . 53.25 110.337 175.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.535 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 14.1 mm-40 -59.93 -28.52 67.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.108 -0.951 . . . . 64.409999999999997 110.999 -178.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.455 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -71.67 -52.05 19.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.643 -0.708 . . . . 44.409999999999997 111.179 -177.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.02 -33.12 73.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.868 0.366 . . . . 73.200000000000003 110.693 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.9 m -67.56 -27.77 67.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 74.310000000000002 111.034 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.546 ' O ' HD23 ' A' ' 49' ' ' LEU . 88.7 t80 -69.92 -35.69 74.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.129 0.49 . . . . 65.150000000000006 110.172 178.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 38.1 ttm -72.35 -18.9 61.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.003 -0.544 . . . . 73.120000000000005 111.245 -177.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 m -56.67 -49.16 75.9 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 120.913 0.387 . . . . 72.420000000000002 111.109 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -73.51 -29.75 62.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.092 0.472 . . . . 63.140000000000001 110.82 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.0 mm? -66.51 -40.79 89.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.922 -0.581 . . . . 71.040000000000006 110.591 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -38.63 84.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 62.299999999999997 111.314 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.59 -45.73 91.55 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.44 0.638 . . . . 72.450000000000003 110.069 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -68.79 -42.0 77.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.146 -0.933 . . . . 74.120000000000005 111.268 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.67 75.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.384 -0.371 . . . . 72.420000000000002 111.635 -178.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.23 -36.15 81.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 64.319999999999993 111.147 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.67 -33.55 21.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.949 0.404 . . . . 73.109999999999999 111.163 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.36 -27.43 67.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.823 -0.626 . . . . 51.5 112.122 -176.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.6 ' HB3' ' CD1' ' A' ' 84' ' ' PHE . 48.7 p -115.74 139.81 49.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.751 0.31 . . . . 72.510000000000005 110.914 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.9 m -92.14 64.14 4.48 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.211 0.529 . . . . 71.140000000000001 109.819 174.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.74 -23.92 4.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.746 -0.661 . . . . 71.030000000000001 110.934 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 74.26 -62.71 0.45 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.583 0.753 . . . . 70.010000000000005 111.572 177.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -94.51 19.67 9.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.994 -0.548 . . . . 72.25 111.839 -172.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.66 150.14 13.17 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.769 -0.729 . . . . 63.219999999999999 113.407 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.99 179.1 5.34 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.954 -0.387 . . . . 40.130000000000003 109.954 176.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 1.13 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 38.9 m -74.11 87.11 1.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.898 0.38 . . . . 65.540000000000006 110.198 177.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 p -100.57 115.73 42.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.602 0.715 . . . . 73.340000000000003 111.255 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.72 100.79 9.23 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.323 -0.853 . . . . 53.25 108.929 173.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -125.12 153.16 43.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.829 0.347 . . . . 75.519999999999996 110.648 -174.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.97 153.9 26.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.825 -0.625 . . . . 72.109999999999999 110.299 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.537 HG21 ' HG3' ' A' ' 39' ' ' ARG . 54.0 mt -114.0 121.76 66.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.465 -0.789 . . . . 75.129999999999995 109.368 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.864 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 17.6 tppt? -92.19 110.67 22.06 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.467 0.651 . . . . 75.230000000000004 110.253 177.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.42 ' HA ' HG12 ' A' ' 76' ' ' VAL . 2.6 m-20 -76.06 113.89 14.08 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.62 -1.173 . . . . 72.200000000000003 110.235 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 mt -120.96 179.27 4.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.82 0.343 . . . . 70.409999999999997 110.387 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.17 104.92 11.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.034 -0.53 . . . . 75.120000000000005 111.152 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.43 -12.59 68.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.035 -0.602 . . . . 75.030000000000001 112.932 174.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -153.17 171.13 18.94 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.718 -0.475 . . . . 72.019999999999996 109.718 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 71' ' ' ASP . 27.1 m -138.14 153.56 27.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.378 -0.374 . . . . 73.519999999999996 110.6 175.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.864 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 40.7 tt0 -102.76 114.18 28.22 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.893 -0.594 . . . . 73.109999999999999 109.709 175.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.503 HD23 HG12 ' A' ' 69' ' ' ILE . 3.2 tm? -93.63 109.37 21.01 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.085 -1.08 . . . . 63.200000000000003 108.085 174.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -123.83 112.95 17.89 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.836 -0.62 . . . . 64.319999999999993 109.463 -173.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.12 140.04 47.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.962 0.41 . . . . 71.219999999999999 111.794 -174.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.05 107.95 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.542 -0.754 . . . . 74.129999999999995 110.563 175.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -96.75 112.71 24.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.536 -0.542 . . . . 75.219999999999999 109.536 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 1.13 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 9.5 m -97.41 113.44 25.11 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.892 0.377 . . . . 50.229999999999997 110.093 -175.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.6 ' CD1' ' HB3' ' A' ' 57' ' ' SER . 86.9 m-85 -98.33 170.51 8.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.825 -0.625 . . . . 74.25 110.286 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.9 m -67.78 -41.67 82.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.33 -0.396 . . . . 25.219999999999999 110.879 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 38.3 m -130.37 155.15 46.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.284 -0.416 . . . . 73.230000000000004 110.053 -178.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.565 ' O ' HG12 ' A' ' 91' ' ' ILE . 33.1 tt0 -64.49 -27.98 69.35 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.077 -0.249 . . . . 63.039999999999999 110.549 178.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.84 -48.3 64.02 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.344 0.402 . . . . 64.25 110.54 176.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' A' ' 89' ' ' GLU . 1.6 mm-40 -65.05 -30.21 71.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.405 0.621 . . . . 74.409999999999997 110.146 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.673 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 13.4 tmm? -74.89 -48.71 23.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.489 -0.778 . . . . 65.420000000000002 110.621 -176.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 87' ' ' GLN . 13.2 pt -69.04 -42.8 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.45 -0.341 . . . . 71.319999999999993 111.505 -178.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.454 ' HA ' HD12 ' A' ' 95' ' ' LEU . 2.6 pp -62.3 -29.51 46.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-O 120.997 0.427 . . . . 74.219999999999999 110.369 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.518 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 57.0 t80 -62.26 -51.09 69.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.741 -0.663 . . . . 72.349999999999994 110.772 177.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.58 -28.43 56.2 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.955 -0.298 . . . . 75.530000000000001 110.589 -177.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 92' ' ' ILE . 75.7 mt -59.55 -45.99 90.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.975 0.416 . . . . 73.010000000000005 110.128 172.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.0 m -59.27 -39.42 82.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.894 -0.594 . . . . 71.129999999999995 110.479 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.3 mt -61.57 -48.43 80.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 61.229999999999997 110.395 177.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -64.66 -37.98 89.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.692 . . . . 64.209999999999994 111.649 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.4 m -78.95 -25.59 43.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.181 -0.463 . . . . 44.100000000000001 111.674 -176.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.4 tp . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 120.658 0.266 . . . . 63.100000000000001 110.916 -178.306 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.426 ' C ' HD22 ' A' ' 27' ' ' ASN . 0.3 OUTLIER . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 120.681 0.277 . . . . 51.520000000000003 110.803 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 62.8 m -92.2 -20.95 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.698 0.285 . . . . 63.530000000000001 111.454 -174.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 39.0 m -85.61 127.41 34.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.98 0.419 . . . . 73.409999999999997 110.482 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.753 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 15.2 t -97.22 105.54 17.71 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.509 -0.552 . . . . 73.530000000000001 109.509 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 80' ' ' ALA . 48.6 mtmt -109.9 149.1 30.38 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.381 0.61 . . . . 74.349999999999994 111.302 176.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -152.39 124.3 7.98 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.972 -1.013 . . . . 51.219999999999999 109.627 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 13.4 m -124.59 108.89 12.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.479 -0.328 . . . . 52.109999999999999 110.229 -178.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 34' ' ' ARG . 21.6 ttt85 -127.51 145.41 50.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.894 0.378 . . . . 53.200000000000003 111.415 -177.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -82.52 133.4 35.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.558 -0.747 . . . . 74.540000000000006 109.826 176.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.444 ' HE2' ' HB3' ' A' ' 78' ' ' LEU . 84.6 m-85 -120.21 157.64 28.67 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.154 -0.475 . . . . 73.030000000000001 110.106 176.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.74 -49.46 68.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.131 -0.486 . . . . 75.239999999999995 111.08 -178.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 42.0 p -124.2 160.15 28.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.15 -0.477 . . . . 62.299999999999997 110.126 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.602 ' HA ' HG21 ' A' ' 76' ' ' VAL . 17.2 ttt180 -63.81 -25.99 68.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.957 0.408 . . . . 75.340000000000003 110.127 176.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.81 -47.88 83.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.941 -0.572 . . . . 71.400000000000006 110.541 174.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 38.2 mm-40 -52.72 -33.09 46.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.198 -0.91 . . . . 62.219999999999999 111.295 177.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.482 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -75.41 -53.05 9.34 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.082 -0.508 . . . . 75.030000000000001 111.45 -176.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.95 -33.13 74.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.402 -0.363 . . . . 62.450000000000003 111.387 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -69.2 -30.05 68.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.913 0.387 . . . . 64.140000000000001 110.398 177.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.565 ' O ' HD23 ' A' ' 49' ' ' LEU . 80.9 t80 -71.02 -42.57 69.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 75.150000000000006 109.881 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.404 ' HE2' HD11 ' A' ' 78' ' ' LEU . 40.1 tpp -61.76 -24.3 66.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.782 -0.645 . . . . 74.319999999999993 111.391 -179.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.2 m -58.34 -49.85 75.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.388 -0.369 . . . . 64.329999999999998 111.246 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HE2' HD23 ' A' ' 100' ' ' LEU . 6.8 ptpp? -71.46 -29.52 64.95 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.884 -0.326 . . . . 63.240000000000002 110.807 -178.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 45' ' ' PHE . 2.9 mm? -58.29 -43.62 88.14 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.94 0.4 . . . . 71.230000000000004 110.499 178.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -60.37 -49.13 78.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.822 -0.626 . . . . 73.540000000000006 111.348 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -69.66 -36.24 75.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.068 -0.515 . . . . 72.349999999999994 111.091 -176.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.3 mt -65.34 -35.63 81.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.997 -0.547 . . . . 74.319999999999993 111.197 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.94 -37.48 86.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.148 0.499 . . . . 65.150000000000006 110.252 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.585 ' O ' ' HA ' ' A' ' 58' ' ' SER . . . -67.75 -29.81 69.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.611 -0.722 . . . . 73.540000000000006 110.991 177.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.65 -33.64 35.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.377 -0.374 . . . . 75.439999999999998 111.135 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.08 -57.07 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 55.030000000000001 111.86 -176.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.494 ' HG ' ' HD1' ' A' ' 84' ' ' PHE . 44.6 m -104.29 -2.28 25.82 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.112 0.412 . . . . 62.409999999999997 112.112 -175.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.585 ' HA ' ' O ' ' A' ' 54' ' ' ALA . 54.7 m 69.78 -56.4 0.57 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.829 0.706 . . . . 71.420000000000002 110.263 -174.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.619 ' HB1' ' HA2' ' A' ' 62' ' ' GLY . . . 71.92 -57.75 0.61 Allowed 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.969 0.908 . . . . 61.439999999999998 112.454 174.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.8 t70 60.68 -80.9 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.845 0.715 . . . . 64.519999999999996 110.594 -174.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -70.12 -34.46 73.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.287 -0.635 . . . . 74.129999999999995 109.287 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.619 ' HA2' ' HB1' ' A' ' 59' ' ' ALA . . . 123.75 127.84 3.26 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.54 -0.838 . . . . 74.310000000000002 113.273 173.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.24 157.79 37.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.203 -0.666 . . . . 75.219999999999999 109.203 170.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.824 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 16.4 m -58.95 107.17 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.996 0.427 . . . . 73.230000000000004 110.79 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.63 123.96 72.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.345 0.593 . . . . 63.130000000000003 111.47 -177.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . . . -124.88 139.1 54.14 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.37 -0.832 . . . . 72.219999999999999 109.378 174.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -140.52 140.5 35.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.882 0.372 . . . . 73.439999999999998 110.732 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.884 ' HB2' ' HB2' ' A' ' 79' ' ' ASP . 95.9 mttt -128.63 140.65 51.66 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.837 -0.62 . . . . 73.109999999999999 110.405 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.3 mt -126.35 103.96 12.2 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 CA-C-N 115.05 -0.977 . . . . 61.439999999999998 108.493 174.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -96.29 121.06 37.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.13 0.491 . . . . 73.519999999999996 110.895 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.497 ' HA ' HG12 ' A' ' 76' ' ' VAL . 14.0 m-20 -79.12 97.2 6.07 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.025 -0.989 . . . . 55.310000000000002 109.253 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 85.2 mt -92.98 -177.02 4.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.899 0.38 . . . . 73.340000000000003 110.051 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.17 101.97 14.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.947 0.403 . . . . 75.209999999999994 110.595 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.39 -27.63 14.79 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 115.844 -0.616 . . . . 52.100000000000001 112.311 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 11.1 pt20 -138.3 -179.82 6.02 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.83 -0.433 . . . . 70.099999999999994 109.83 -178.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.602 HG21 ' HA ' ' A' ' 39' ' ' ARG . 31.5 m -138.27 157.93 31.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 110.012 -0.366 . . . . 74.25 110.012 175.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -116.87 122.95 45.83 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.909 -0.404 . . . . 75.049999999999997 109.909 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.482 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.5 tm? -96.52 120.37 36.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.323 -0.853 . . . . 73.409999999999997 109.55 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.884 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 14.5 m-20 -107.95 116.15 31.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.028 -0.533 . . . . 72.549999999999997 110.498 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.629 ' O ' ' HA ' ' A' ' 31' ' ' LYS . . . -109.89 128.37 55.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.237 -0.438 . . . . 72.129999999999995 110.021 175.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . . . -133.47 103.76 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.861 0.362 . . . . 73.430000000000007 110.662 178.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -113.14 131.32 55.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.3 -0.409 . . . . 65.230000000000004 110.61 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.824 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 18.7 m -108.18 109.77 21.25 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.129 -0.323 . . . . 54.329999999999998 110.129 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.494 ' HD1' ' HG ' ' A' ' 57' ' ' SER . 69.7 m-85 -100.26 171.69 7.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 110.674 -178.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.1 m -86.24 -44.78 11.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.232 -0.44 . . . . 72.540000000000006 110.533 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.513 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 27.8 m -112.1 145.1 40.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.133 -0.485 . . . . 73.329999999999998 110.31 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.526 ' O ' HG12 ' A' ' 91' ' ' ILE . 18.6 tt0 -68.68 -28.45 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 74.230000000000004 110.369 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.481 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -57.07 -36.36 70.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.906 -0.588 . . . . 52.329999999999998 110.622 175.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.513 ' HG3' ' HB2' ' A' ' 86' ' ' CYS . 30.2 mt-10 -73.91 -34.2 64.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.939 -0.573 . . . . 71.310000000000002 110.038 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.753 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 14.4 tmm? -67.84 -48.97 64.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.794 -0.639 . . . . 64.129999999999995 110.416 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 87' ' ' GLN . 18.8 pt -66.39 -45.1 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.405 -0.361 . . . . 71.129999999999995 111.877 -177.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 88' ' ' ALA . 40.3 pt -63.28 -30.74 50.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-O 120.981 0.42 . . . . 62.399999999999999 110.462 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.431 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 91.1 t80 -66.85 -52.03 48.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.794 -0.639 . . . . 71.409999999999997 111.124 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.411 ' HA ' ' HG ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -73.73 -28.38 61.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.685 0.278 . . . . 71.430000000000007 111.142 -175.387 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 74.5 mt -69.31 -40.55 77.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.774 0.321 . . . . 73.340000000000003 110.699 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.8 m -68.03 -23.49 64.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.538 -0.301 . . . . 33.350000000000001 111.319 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 84.7 mt -54.81 -51.86 64.5 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.829 0.347 . . . . 64.109999999999999 111.133 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -37.36 49.67 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.694 -0.402 . . . . 75.430000000000007 111.311 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.9 t -71.39 -12.46 61.43 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.992 0.367 . . . . 62.310000000000002 111.992 -174.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.411 HD23 ' HE2' ' A' ' 48' ' ' LYS . 21.0 tp . . . . . 0 C--N 1.324 -0.518 0 CA-C-O 120.876 0.369 . . . . 73.109999999999999 110.233 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.477 ' C ' HD22 ' A' ' 27' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 121.097 0.475 . . . . 71.430000000000007 111.855 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 87' ' ' GLN . 62.0 m -103.04 5.51 38.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.582 -0.735 . . . . 63.119999999999997 110.131 178.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.52 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 52.3 m -97.88 124.35 42.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.68 -0.691 . . . . 73.129999999999995 110.647 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.498 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 47.7 t -99.06 135.76 39.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.904 -0.406 . . . . 71.019999999999996 109.904 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -106.31 112.6 25.68 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.167 -0.469 . . . . 72.310000000000002 110.263 177.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.633 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 93.5 t80 -100.07 118.31 36.17 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.15 -0.685 . . . . 75.5 109.15 176.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 19.6 m -133.04 106.65 7.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.062 0.458 . . . . 71.400000000000006 110.213 -179.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.98 139.36 48.62 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.155 -0.475 . . . . 61.340000000000003 109.866 -178.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -93.03 139.13 30.85 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.902 -0.59 . . . . 74.5 110.143 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -131.04 165.65 22.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.507 -0.315 . . . . 64.049999999999997 110.337 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.95 -55.62 24.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.04 -0.527 . . . . 62.43 111.541 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.431 ' OG1' ' HG2' ' A' ' 41' ' ' GLU . 70.2 p -120.86 159.29 25.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.357 -0.383 . . . . 70.430000000000007 110.106 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.837 ' HG3' HG21 ' A' ' 69' ' ' ILE . 20.7 ttt180 -60.87 -29.32 69.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.268 0.556 . . . . 63.240000000000002 110.092 175.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.41 -45.67 93.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.361 -0.836 . . . . 74.25 110.428 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.431 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 33.2 mm-40 -57.74 -32.68 67.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.693 -0.685 . . . . 73.209999999999994 110.504 175.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.88 -53.17 8.85 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.577 -0.738 . . . . 51.399999999999999 111.702 -174.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.565 ' HG2' HG12 ' A' ' 69' ' ' ILE . 40.0 mt-10 -69.02 -21.02 64.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 50.520000000000003 111.363 -176.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.8 m -79.04 -28.05 43.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.493 -0.321 . . . . 72.319999999999993 110.52 177.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.486 ' O ' HD23 ' A' ' 49' ' ' LEU . 22.1 t80 -74.12 -25.84 60.0 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.466 -0.568 . . . . 74.439999999999998 109.466 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.481 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 50.5 tpp -65.35 -29.73 70.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.593 -0.731 . . . . 74.0 110.764 178.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.582 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 3.1 m -56.5 -49.94 73.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.042 0.449 . . . . 65.0 111.205 -178.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.418 ' HB2' ' HE3' ' A' ' 48' ' ' LYS . 16.5 ptmt -73.82 -27.02 60.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.062 -0.517 . . . . 74.430000000000007 110.883 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 45' ' ' PHE . 3.4 mm? -62.24 -37.51 85.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.467 -0.333 . . . . 74.25 110.63 174.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.582 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 35.5 mtpt -53.12 -51.22 62.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.121 0.486 . . . . 61.350000000000001 110.133 173.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -54.84 -51.44 65.88 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.345 -0.843 . . . . 54.119999999999997 110.773 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.11 -48.66 80.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.593 -0.73 . . . . 70.530000000000001 111.417 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.64 -43.83 92.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.535 -0.302 . . . . 72.530000000000001 111.267 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.36 71.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 54.310000000000002 111.305 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.7 -43.01 19.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.299 -0.41 . . . . 71.450000000000003 111.321 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.91 -47.89 76.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 64.340000000000003 111.297 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.511 ' HB3' ' HD2' ' A' ' 84' ' ' PHE . 79.4 p -89.88 133.1 34.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.262 -0.426 . . . . 73.030000000000001 110.263 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -75.31 14.59 0.55 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.139 0.495 . . . . 74.129999999999995 111.296 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.12 -30.18 62.18 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.169 -0.469 . . . . 51.329999999999998 109.777 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 70.62 -50.59 0.67 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.269 -0.878 . . . . 63.140000000000001 112.467 176.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.72 -30.5 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.12 0.485 . . . . 75.340000000000003 110.139 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.24 167.19 11.88 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.545 -0.752 . . . . 55.520000000000003 111.629 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.63 171.69 9.2 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.051 -0.351 . . . . 65.329999999999998 110.051 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.799 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 69.3 m -74.5 90.15 2.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.963 0.411 . . . . 70.430000000000007 110.092 176.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 3.4 p -101.39 116.42 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.628 0.728 . . . . 53.200000000000003 111.808 -175.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.79 96.75 7.8 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.172 -0.922 . . . . 43.43 108.682 170.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 31.8 p90 -106.84 152.86 23.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.001 0.429 . . . . 74.310000000000002 111.048 -173.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HG2' ' HB3' ' A' ' 79' ' ' ASP . 0.7 OUTLIER -144.63 148.8 34.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.648 -0.705 . . . . 75.030000000000001 109.781 178.237 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.837 HG21 ' HG3' ' A' ' 39' ' ' ARG . 4.0 mp -120.04 109.51 26.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 108.68 -0.859 . . . . 70.099999999999994 108.68 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.741 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 22.6 tptm -96.72 119.39 35.12 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.383 0.611 . . . . 53.43 111.047 -173.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.48 105.38 7.5 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.883 -1.053 . . . . 73.019999999999996 109.72 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 77' ' ' GLU . 94.5 mt -106.93 -175.75 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.258 0.551 . . . . 72.329999999999998 111.338 -176.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -92.77 100.84 13.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.403 -0.817 . . . . 73.409999999999997 110.502 -177.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.43 -7.04 78.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.022 -0.608 . . . . 51.409999999999997 112.479 178.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 12.6 pt20 -160.19 177.82 10.28 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.271 -0.64 . . . . 71.310000000000002 109.271 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.591 HG21 ' HA ' ' A' ' 39' ' ' ARG . 27.0 m -131.87 150.73 34.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.085 -0.339 . . . . 74.430000000000007 110.085 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.741 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 35.5 tt0 -105.52 113.91 27.77 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.901 -0.59 . . . . 74.439999999999998 109.706 179.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -98.38 114.19 26.43 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.514 -0.921 . . . . 74.530000000000001 108.514 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.633 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 19.7 t70 -128.0 135.82 50.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.112 -0.494 . . . . 44.240000000000002 110.212 -177.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.552 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -143.42 124.88 14.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.375 -0.375 . . . . 55.119999999999997 110.845 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.494 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -100.17 101.5 12.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.057 -0.52 . . . . 73.340000000000003 110.398 177.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' A' ' 29' ' ' THR . 97.1 m-85 -91.52 111.47 22.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.535 -0.302 . . . . 62.530000000000001 110.486 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.799 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 34.1 m -95.95 105.79 17.86 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.756 -0.461 . . . . 65.129999999999995 109.756 175.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.511 ' HD2' ' HB3' ' A' ' 57' ' ' SER . 94.7 m-85 -86.22 150.02 24.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.949 -0.569 . . . . 53.32 110.492 -178.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.3 m -64.48 -30.98 72.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.325 0.584 . . . . 61.109999999999999 110.544 177.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.584 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 55.8 m -126.81 142.79 51.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.799 -0.637 . . . . 73.109999999999999 109.627 177.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.422 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 29.0 tt0 -66.98 -28.85 68.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.721 0.295 . . . . 74.329999999999998 110.842 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.443 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.54 -39.13 70.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 52.439999999999998 110.827 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.584 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 2.1 mm-40 -67.2 -28.59 68.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.051 -0.522 . . . . 50.32 110.295 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.498 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 16.8 tmm? -75.61 -49.36 18.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.609 . . . . 72.340000000000003 110.646 -177.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 4.7 pt -66.58 -35.97 76.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.239 0.459 . . . . 70.019999999999996 112.239 -177.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 88' ' ' ALA . 36.8 pt -69.63 -29.71 42.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-O 121.166 0.508 . . . . 72.239999999999995 110.354 177.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.592 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 61.8 t80 -64.59 -46.57 82.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.565 -0.743 . . . . 75.409999999999997 109.956 176.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -56.78 -47.59 79.79 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.952 -0.567 . . . . 74.420000000000002 111.307 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 70.5 mt -54.56 -40.22 68.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.671 -0.695 . . . . 71.150000000000006 110.957 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.6 m -83.31 -20.74 33.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.644 -0.707 . . . . 55.210000000000001 111.973 -173.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 79.9 mt -66.17 -52.53 47.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.841 0.353 . . . . 72.530000000000001 111.041 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -75.84 -29.36 58.57 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.685 -0.406 . . . . 74.439999999999998 111.04 -177.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.2 m -75.46 1.79 13.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.616 0.246 . . . . 72.439999999999998 111.447 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 75.010000000000005 111.269 -178.561 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.526 ' HB3' ' H ' ' A' ' 29' ' ' THR . 19.0 m-80 . . . . . 0 N--CA 1.464 0.226 0 CA-C-O 120.585 0.231 . . . . 74.450000000000003 110.547 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.3 p -111.24 -7.99 14.4 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.264 -1.013 . . . . 64.420000000000002 108.264 167.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.526 ' H ' ' HB3' ' A' ' 27' ' ' ASN . 9.6 m -108.26 125.67 51.94 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.534 -1.212 . . . . 73.219999999999999 110.4 -178.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.405 ' OG ' ' HG3' ' A' ' 90' ' ' MET . 73.9 m -97.41 103.54 15.49 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.867 -0.606 . . . . 74.420000000000002 110.474 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.823 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -98.3 112.42 24.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.867 0.842 . . . . 61.409999999999997 109.311 175.14 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.43 ' HE2' ' HZ ' ' A' ' 45' ' ' PHE . 34.6 t80 -119.27 118.63 31.76 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.634 -1.166 . . . . 74.510000000000005 110.214 -176.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 1.9 m -111.2 131.11 55.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.854 -0.612 . . . . 63.219999999999999 110.523 -178.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 34' ' ' ARG . 1.1 mmp_? -137.19 144.55 42.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.257 -0.428 . . . . 71.219999999999999 110.671 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -96.7 139.09 33.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.309 -0.405 . . . . 73.409999999999997 110.697 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -137.35 174.93 10.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.203 -0.453 . . . . 72.040000000000006 109.79 177.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.27 -55.9 6.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.823 0.344 . . . . 74.019999999999996 111.255 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.5 159.57 34.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.758 0.313 . . . . 62.420000000000002 111.594 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 15.7 ptt-85 -61.0 -26.49 67.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.86 -0.609 . . . . 65.299999999999997 111.575 -178.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.97 -45.82 90.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.361 0.601 . . . . 73.010000000000005 110.134 175.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -57.05 -31.09 64.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.833 -1.076 . . . . 44.409999999999997 110.508 176.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.57 -37.44 59.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.434 -0.803 . . . . 72.010000000000005 110.89 -178.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 45.3 mt-10 -66.33 -41.48 89.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.388 . . . . 52.310000000000002 110.177 178.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.8 m -61.61 -30.64 70.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.056 -0.52 . . . . 51.439999999999998 110.786 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.512 ' O ' HD23 ' A' ' 49' ' ' LEU . 62.0 t80 -69.02 -40.12 78.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.219999999999999 109.87 178.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 33.1 tpp -66.65 -30.34 70.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.158 -0.474 . . . . 72.120000000000005 110.665 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.5 m -60.45 -45.57 93.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.966 -0.561 . . . . 44.439999999999998 111.279 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 3.0 ptpp? -73.18 -36.31 66.55 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.682 -0.407 . . . . 72.540000000000006 110.687 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.1 mm? -64.54 -38.4 90.89 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.342 -0.39 . . . . 52.420000000000002 111.133 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HE3' HG11 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -52.76 -51.0 62.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 73.030000000000001 111.486 177.143 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -67.06 -36.43 82.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 75.400000000000006 111.066 -177.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 96.5 mt -66.92 -42.46 85.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.115 -0.493 . . . . 73.150000000000006 110.831 178.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.92 78.66 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.107 -0.497 . . . . 53.340000000000003 111.346 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.94 -33.81 76.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.112 -0.494 . . . . 74.25 111.35 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.55 -29.86 23.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.174 0.511 . . . . 60.119999999999997 111.084 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.9 -54.39 7.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.054 -0.521 . . . . 65.409999999999997 111.673 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.609 ' HA ' ' OE2' ' A' ' 89' ' ' GLU . 20.5 p -99.56 131.85 45.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 52.409999999999997 111.784 -174.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.7 m -97.98 41.68 1.12 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.655 -0.702 . . . . 72.420000000000002 111.3 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 62' ' ' GLY . . . -78.48 -53.08 7.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.044 -0.525 . . . . 60.439999999999998 110.898 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -166.1 -73.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 74.209999999999994 110.37 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -127.4 13.58 7.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.671 0.748 . . . . 74.230000000000004 109.323 175.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.464 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . 147.73 -161.19 28.5 Favored Glycine 0 N--CA 1.443 -0.889 0 CA-C-N 114.806 -1.088 . . . . 72.519999999999996 110.46 -175.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -114.03 167.24 10.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 117.005 0.402 . . . . 63.539999999999999 110.217 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.749 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 41.1 m -66.62 103.53 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.295 0.372 . . . . 71.319999999999993 110.063 177.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.408 HG11 ' HE3' ' A' ' 50' ' ' LYS . 3.6 p -100.33 115.75 42.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.532 0.682 . . . . 60.310000000000002 110.955 -176.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.22 96.48 6.15 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.305 -0.861 . . . . 72.129999999999995 109.008 172.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 20.4 p90 -118.36 143.39 46.67 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.212 -0.449 . . . . 72.519999999999996 110.96 -174.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -132.43 152.42 51.49 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.674 -0.693 . . . . 72.140000000000001 109.394 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.472 HG12 HD23 ' A' ' 78' ' ' LEU . 54.2 mt -118.16 114.55 45.55 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 CA-C-N 115.729 -0.669 . . . . 74.519999999999996 109.663 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -94.73 113.65 25.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.238 0.542 . . . . 74.319999999999993 109.987 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.711 ' HA ' HG12 ' A' ' 76' ' ' VAL . 12.2 t70 -90.03 97.26 11.08 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.138 -0.937 . . . . 73.040000000000006 109.33 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 46.4 mt -93.18 165.24 12.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.94 -0.573 . . . . 73.310000000000002 110.249 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -77.95 91.96 4.25 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.902 -0.59 . . . . 54.140000000000001 109.876 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.18 -32.49 3.24 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.925 -0.655 . . . . 63.539999999999999 112.42 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.503 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 14.0 pt20 -162.48 174.3 12.87 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.487 -0.56 . . . . 75.430000000000007 109.487 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.711 HG12 ' HA ' ' A' ' 71' ' ' ASP . 24.5 m -128.7 161.18 38.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 C-N-CA 120.984 -0.286 . . . . 73.019999999999996 110.582 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -123.52 124.74 43.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.182 -0.463 . . . . 70.209999999999994 110.463 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.472 HD23 HG12 ' A' ' 69' ' ' ILE . 3.4 tm? -94.09 114.33 26.46 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.344 -0.984 . . . . 64.409999999999997 108.344 173.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -119.51 102.15 8.45 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.034 -0.53 . . . . 70.25 109.983 -175.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' A' ' 31' ' ' LYS . . . -115.75 125.44 52.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.442 -0.345 . . . . 72.310000000000002 111.775 -174.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 31' ' ' LYS . . . -109.53 105.44 14.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.34 -0.391 . . . . 34.539999999999999 110.372 176.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -93.21 112.61 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 64.310000000000002 110.184 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.749 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 7.3 m -89.52 106.22 18.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.887 0.375 . . . . 71.349999999999994 110.15 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.524 ' HD1' ' HB3' ' A' ' 57' ' ' SER . 95.9 m-85 -91.7 153.31 19.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.969 -0.56 . . . . 62.539999999999999 111.135 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m -74.4 -21.15 59.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.818 -0.628 . . . . 61.149999999999999 110.752 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.604 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 61.1 m -133.95 150.51 51.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.972 -0.558 . . . . 72.040000000000006 110.127 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -71.44 -30.5 66.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.676 -0.238 . . . . 64.239999999999995 111.452 -178.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.405 ' O ' HG13 ' A' ' 91' ' ' ILE . . . -59.65 -33.92 72.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.714 0.293 . . . . 64.239999999999995 110.821 177.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.609 ' OE2' ' HA ' ' A' ' 57' ' ' SER . 4.2 mm-40 -63.1 -35.3 79.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.866 -0.606 . . . . 73.239999999999995 110.345 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.405 ' HG3' ' OG ' ' A' ' 30' ' ' SER . 37.1 ttp -61.23 -56.21 23.26 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.052 -0.522 . . . . 74.230000000000004 110.881 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 88' ' ' ALA . 2.2 pt -66.34 -43.73 91.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.708 -0.678 . . . . 54.409999999999997 112.439 -174.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.8 pp -63.96 -30.28 49.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.795 -0.362 . . . . 74.109999999999999 110.877 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.767 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 14.7 t80 -71.98 -52.46 16.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.053 -0.521 . . . . 75.030000000000001 110.251 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.403 ' HB3' ' NH2' ' A' ' 98' ' ' ARG . 61.8 mm-40 -56.04 -45.98 79.02 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.908 -0.587 . . . . 73.340000000000003 111.478 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.5 mt -65.67 -52.42 51.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.886 -0.597 . . . . 74.430000000000007 111.623 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 m -50.04 -42.89 50.53 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 111.974 0.361 . . . . 70.400000000000006 111.974 172.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.767 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 62.0 mt -65.76 -34.06 77.3 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.645 0.26 . . . . 73.129999999999995 111.586 -177.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.403 ' NH2' ' HB3' ' A' ' 94' ' ' GLU . 8.3 tpp180 -58.51 -47.96 82.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 72.310000000000002 110.89 -175.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.0 m -90.75 13.89 14.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.133 -0.485 . . . . 73.129999999999995 110.858 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.5 tt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.203 -0.453 . . . . 71.030000000000001 110.848 -178.817 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.347 -0.612 . . . . 71.430000000000007 109.347 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 76.8 m -111.48 -1.07 16.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.313 0.578 . . . . 74.120000000000005 109.955 173.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 61.1 m -114.95 120.33 39.55 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.473 -0.785 . . . . 72.230000000000004 110.635 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.593 ' HB2' ' HG3' ' A' ' 90' ' ' MET . 33.2 t -100.73 127.98 46.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.735 -0.469 . . . . 52.399999999999999 109.735 176.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -108.45 133.4 52.67 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.682 -0.488 . . . . 65.409999999999997 109.682 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -147.02 130.72 16.94 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.754 -0.657 . . . . 75.310000000000002 110.562 -174.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.635 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 71.8 p -135.07 131.11 36.59 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.134 -0.485 . . . . 64.319999999999993 110.112 175.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -130.22 142.97 50.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.127 -0.488 . . . . 73.409999999999997 109.975 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.439 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 60.4 m-85 -88.55 130.41 35.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.149 -0.478 . . . . 64.310000000000002 110.42 -178.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -123.85 170.75 10.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.038 -0.528 . . . . 75.310000000000002 109.998 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.449 ' O ' ' HA ' ' A' ' 75' ' ' GLN . . . -65.64 -59.45 3.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.031 0.443 . . . . 43.009999999999998 111.568 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.7 p -123.5 166.94 14.56 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.224 -0.444 . . . . 52.420000000000002 110.688 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 8.2 ppt_? -65.15 -22.53 66.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.112 0.482 . . . . 71.140000000000001 109.74 176.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.36 -46.45 88.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.381 -0.827 . . . . 70.0 110.202 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.11 -29.09 68.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.987 -1.006 . . . . 74.549999999999997 110.557 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -75.56 -43.08 50.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.882 -0.599 . . . . 64.209999999999994 110.624 -179.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 33.5 mt-10 -62.69 -40.67 97.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.905 -0.589 . . . . 71.129999999999995 109.711 176.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.6 m -64.36 -34.95 79.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.292 -0.867 . . . . 63.130000000000003 110.472 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.597 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 31.5 t80 -69.47 -50.58 44.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.233 -0.44 . . . . 74.420000000000002 109.915 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.518 ' HE2' HD11 ' A' ' 78' ' ' LEU . 38.6 tpp -56.43 -28.67 60.13 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.759 0.314 . . . . 71.140000000000001 111.387 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.5 m -57.0 -49.66 75.09 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.167 -0.47 . . . . 74.219999999999999 111.388 178.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 19.8 ptmt -73.07 -27.31 61.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.543 -0.299 . . . . 72.510000000000005 111.295 -177.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.69 -41.38 95.04 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 110.433 -0.21 . . . . 73.409999999999997 110.433 175.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.3 -41.11 98.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.985 0.421 . . . . 73.310000000000002 110.921 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -61.34 -48.27 82.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.709 -0.678 . . . . 54.420000000000002 110.343 177.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.5 mt -67.29 -42.0 84.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.214 -0.903 . . . . 74.019999999999996 111.695 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.18 -42.7 91.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.458 -0.337 . . . . 54.210000000000001 111.613 -176.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.92 -34.53 78.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 64.510000000000005 111.66 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.17 -33.73 22.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.498 -0.319 . . . . 65.099999999999994 111.747 -178.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.68 -51.24 10.13 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.318 0.488 . . . . 64.239999999999995 112.318 -175.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.72 ' HB3' ' HD1' ' A' ' 84' ' ' PHE . 80.3 p -93.45 169.02 10.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.048 0.452 . . . . 71.230000000000004 111.498 -173.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -90.48 10.32 25.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.491 -0.777 . . . . 63.310000000000002 110.305 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.24 98.24 9.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.763 -0.653 . . . . 64.239999999999995 109.357 176.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.91 -31.14 71.91 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.314 -0.857 . . . . 54.299999999999997 112.254 -171.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -98.89 9.99 42.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.402 0.62 . . . . 65.340000000000003 110.052 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.32 142.56 9.0 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.708 -0.678 . . . . 65.430000000000007 112.397 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.35 152.69 43.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.402 -0.222 . . . . 71.200000000000003 110.402 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.72 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 61.4 m -70.37 94.57 0.96 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.114 -0.494 . . . . 55.439999999999998 110.237 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 5.0 p -111.07 118.78 58.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.355 0.598 . . . . 63.210000000000001 111.586 -176.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.33 101.29 12.23 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.282 -1.007 . . . . 62.100000000000001 108.282 170.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 54.3 p90 -121.83 159.78 26.05 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.94 0.4 . . . . 62.509999999999998 111.649 -172.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.505 ' HG2' ' HB3' ' A' ' 79' ' ' ASP . 9.7 ptpp? -143.29 150.34 39.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.618 -0.719 . . . . 74.239999999999995 109.872 175.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.4 HG12 HD23 ' A' ' 78' ' ' LEU . 66.5 mt -112.13 105.38 18.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 108.685 -0.857 . . . . 65.140000000000001 108.685 173.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.785 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -101.43 114.37 28.31 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.194 -0.602 . . . . 51.450000000000003 110.632 -175.281 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.74 ' HA ' HG12 ' A' ' 76' ' ' VAL . 5.0 p-10 -69.88 127.04 31.52 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.811 -1.086 . . . . 73.409999999999997 109.593 176.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.3 mt -116.97 -170.51 1.85 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.441 -0.577 . . . . 74.140000000000001 109.441 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -90.67 99.64 12.63 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.796 0.332 . . . . 70.409999999999997 110.261 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.25 14.07 72.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.214 -0.517 . . . . 70.340000000000003 112.449 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.449 ' HA ' ' O ' ' A' ' 37' ' ' ALA . 3.4 pt20 -174.98 -179.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.455 -0.572 . . . . 64.549999999999997 109.455 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.74 HG12 ' HA ' ' A' ' 71' ' ' ASP . 27.8 m -142.2 156.41 19.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.957 -0.386 . . . . 42.520000000000003 109.957 176.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -111.51 118.57 36.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.052 0.453 . . . . 64.019999999999996 110.247 173.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.635 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -90.97 109.95 21.19 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.231 -1.026 . . . . 70.420000000000002 108.231 173.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.505 ' HB3' ' HG2' ' A' ' 68' ' ' LYS . 18.0 t70 -115.87 135.19 54.23 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.696 -0.684 . . . . 74.310000000000002 109.86 -175.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -149.05 140.01 22.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.99 0.424 . . . . 75.109999999999999 111.797 -177.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.502 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -115.69 109.22 17.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.777 -0.647 . . . . 71.349999999999994 109.882 173.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.526 ' O ' ' HA ' ' A' ' 29' ' ' THR . 71.6 m-85 -100.3 113.15 25.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.291 -0.413 . . . . 74.140000000000001 111.571 -176.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.72 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 57.9 m -94.76 115.41 27.47 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.763 -0.458 . . . . 71.040000000000006 109.763 173.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.72 ' HD1' ' HB3' ' A' ' 57' ' ' SER . 92.4 m-85 -97.61 -177.63 3.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.24 -0.437 . . . . 63.210000000000001 110.71 -178.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 p -104.0 -14.31 15.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.905 0.383 . . . . 53.119999999999997 111.227 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.7 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 27.2 m -137.94 157.82 45.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.47 -0.332 . . . . 53.049999999999997 110.14 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -61.1 -49.97 75.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 73.219999999999999 110.937 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.568 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -56.57 -42.84 79.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.69 -0.686 . . . . 73.409999999999997 110.886 -176.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.7 ' HG3' ' HB2' ' A' ' 86' ' ' CYS . 77.4 mt-10 -56.54 -29.94 62.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 71.099999999999994 111.501 -176.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.593 ' HG3' ' HB2' ' A' ' 30' ' ' SER . 52.4 ttp -73.96 -58.52 3.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.077 0.465 . . . . 63.340000000000003 110.457 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.422 ' H ' HG12 ' A' ' 91' ' ' ILE . 1.5 pt -68.4 -32.93 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 112.872 0.693 . . . . 63.210000000000001 112.872 -175.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.568 HG12 ' O ' ' A' ' 88' ' ' ALA . 35.9 pt -70.25 -30.48 43.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 120.563 -0.455 . . . . 73.409999999999997 109.93 176.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.603 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 46.4 t80 -64.49 -47.37 79.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.819 -0.628 . . . . 61.219999999999999 109.884 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 90' ' ' MET . 8.0 mt-10 -58.71 -41.79 87.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.712 -0.676 . . . . 72.420000000000002 110.19 178.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.17 -47.16 77.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.019 -0.537 . . . . 72.239999999999995 110.937 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -52.36 -41.8 63.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.44 -0.345 . . . . 74.129999999999995 111.163 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 82.4 mt -57.36 -47.7 80.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.315 0.578 . . . . 74.519999999999996 110.854 178.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -77.31 -33.23 55.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.265 -0.88 . . . . 74.420000000000002 111.474 -174.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 m -78.74 -35.32 44.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.451 -0.341 . . . . 62.140000000000001 111.298 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 40.8 tp . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 120.918 0.389 . . . . 74.540000000000006 110.76 -179.406 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.4 ttp . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 120.933 0.397 . . . . 52.200000000000003 110.501 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.03 139.12 51.66 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.938 -0.393 . . . . 53.119999999999997 109.938 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -133.31 -26.68 1.64 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.704 0.288 . . . . 63.409999999999997 111.503 -176.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -95.83 106.16 18.26 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.181 0.438 . . . . 64.209999999999994 112.181 -170.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -142.52 88.78 2.1 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.97 -0.752 . . . . 74.120000000000005 108.97 171.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.0 p -158.11 123.76 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.936 -0.574 . . . . 74.409999999999997 111.162 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.0 p -154.51 140.56 11.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.748 -0.66 . . . . 71.540000000000006 109.297 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -152.51 97.91 2.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.477 0.656 . . . . 62.43 111.537 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.484 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 3.6 ttpm? -163.31 91.17 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.523 -0.762 . . . . 75.209999999999994 109.733 174.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.4 m -122.47 21.53 10.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.167 -0.47 . . . . 61.340000000000003 110.191 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.3 m -81.19 83.13 6.89 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 121.464 0.65 . . . . 70.420000000000002 111.584 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 t -148.28 134.51 19.41 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.207 -1.034 . . . . 74.0 108.207 174.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -106.95 -29.04 9.69 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.66 -0.416 . . . . 51.439999999999998 111.273 -171.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.68 53.0 5.19 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.702 -0.761 . . . . 63.439999999999998 111.63 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.4 m -73.91 -28.18 61.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.922 0.392 . . . . 73.409999999999997 110.411 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.28 132.62 37.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.104 -0.498 . . . . 71.409999999999997 110.112 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.6 pt -76.03 100.19 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.433 0.635 . . . . 74.530000000000001 111.308 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -128.29 133.28 48.72 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.698 -0.683 . . . . 63.32 109.823 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.501 HD12 ' HB3' ' A' ' 95' ' ' LEU . 6.3 mt -78.88 -19.15 13.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.187 0.518 . . . . 71.120000000000005 109.942 -178.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.46 28.7 7.0 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.89 -0.671 . . . . 72.140000000000001 111.487 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.517 HG22 ' H ' ' A' ' 22' ' ' VAL . 2.0 m -98.6 172.71 7.32 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.189 -0.301 . . . . 72.439999999999998 110.189 -178.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.517 ' H ' HG22 ' A' ' 21' ' ' THR . 27.6 m -73.89 169.76 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.214 0.531 . . . . 73.209999999999994 111.724 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.666 HG23 HG21 ' A' ' 91' ' ' ILE . 3.9 mp -107.18 130.46 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.77 -0.65 . . . . 74.299999999999997 110.384 -177.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -82.77 119.5 24.42 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.569 -0.53 . . . . 61.200000000000003 109.569 173.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 26' ' ' ASP . 6.2 t30 -109.76 112.9 25.22 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.297 -0.41 . . . . 52.140000000000001 111.49 -175.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 15.1 t70 179.22 -48.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 O-C-N 123.95 0.781 . . . . 72.299999999999997 110.133 170.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -127.09 -179.38 4.83 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.57 0.7 . . . . 63.530000000000001 111.779 -175.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 p -120.8 -14.7 8.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.651 -1.159 . . . . 73.219999999999999 108.688 169.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 97.9 m -98.28 119.22 36.57 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.148 -0.933 . . . . 43.409999999999997 109.595 173.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.6 t -97.78 148.53 23.29 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.904 -0.406 . . . . 70.439999999999998 109.904 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -122.64 113.24 18.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.915 -0.772 . . . . 72.540000000000006 108.915 -178.698 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.566 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 92.9 t80 -103.87 116.36 32.14 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.669 -0.696 . . . . 75.209999999999994 110.45 -176.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 1.3 p -114.2 135.22 54.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.0 -0.546 . . . . 74.319999999999993 111.585 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.69 147.42 31.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.147 -0.933 . . . . 74.519999999999996 109.253 174.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.4 ' CE1' ' HG2' ' A' ' 77' ' ' GLU . 34.5 m-85 -108.59 124.74 50.95 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.774 -0.454 . . . . 73.010000000000005 109.774 -178.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.477 ' HB3' ' CB ' ' A' ' 41' ' ' GLU . 94.8 m-85 -119.91 166.07 13.8 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.123 -0.49 . . . . 64.140000000000001 110.071 -177.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.0 -30.29 50.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.202 0.314 . . . . 41.43 111.504 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.9 p -131.12 155.5 46.87 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 121.058 -0.257 . . . . 51.009999999999998 110.437 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -62.6 -26.39 68.58 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.723 -0.473 . . . . 74.040000000000006 109.723 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -58.97 -53.43 58.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.675 -0.693 . . . . 74.310000000000002 110.428 173.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' CB ' ' HB3' ' A' ' 36' ' ' PHE . 16.1 mm-40 -52.71 -34.04 50.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.621 -0.718 . . . . 55.229999999999997 111.055 177.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.95 -51.97 28.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.908 -0.587 . . . . 54.43 110.879 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.67 -23.93 61.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 111.584 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.7 m -71.07 -34.11 70.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.862 0.363 . . . . 64.540000000000006 110.275 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.401 ' O ' HD23 ' A' ' 49' ' ' LEU . 5.3 t80 -76.7 -27.31 55.45 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.651 -0.5 . . . . 72.540000000000006 109.651 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.408 ' HE2' HD11 ' A' ' 78' ' ' LEU . 42.1 tpp -60.57 -32.91 71.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.738 -0.664 . . . . 73.329999999999998 110.647 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.438 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 38.4 m -54.73 -53.6 52.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.002 -0.544 . . . . 73.299999999999997 111.177 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.509 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 14.0 ptmt -70.74 -26.82 63.54 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.81 -0.356 . . . . 74.5 111.485 -177.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.0 mm? -62.25 -41.99 98.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.291 -0.263 . . . . 74.230000000000004 110.291 172.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.559 ' HE2' HG11 ' A' ' 65' ' ' VAL . 25.9 mmtp -63.1 -41.12 99.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.596 0.236 . . . . 75.420000000000002 111.016 175.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.509 ' OE1' ' HA ' ' A' ' 48' ' ' LYS . 43.9 mt-10 -59.07 -44.42 91.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.137 0.494 . . . . 71.109999999999999 109.989 177.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.539 HD21 HD22 ' A' ' 100' ' ' LEU . 65.1 mt -70.67 -37.47 73.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.485 -0.779 . . . . 74.109999999999999 111.644 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.95 87.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.413 -0.358 . . . . 41.109999999999999 111.115 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.35 -30.39 71.22 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.306 -0.406 . . . . 50.039999999999999 111.468 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.09 -46.12 24.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.357 -0.383 . . . . 44.340000000000003 110.775 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.75 -50.79 47.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.067 -0.515 . . . . 63.509999999999998 111.339 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.5 p -114.36 120.61 40.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.911 -0.586 . . . . 63.109999999999999 110.07 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 m -71.71 -84.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.381 -0.372 . . . . 72.140000000000001 110.346 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 54.16 -164.97 0.1 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.948 0.88 . . . . 62.0 111.376 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.57 -50.37 11.67 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.689 -1.142 . . . . 61.340000000000003 110.005 175.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -130.0 17.56 5.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.853 -0.612 . . . . 73.420000000000002 110.719 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.35 -176.78 38.89 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.876 -0.678 . . . . 65.329999999999998 112.054 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' A' ' 83' ' ' THR . . . -67.5 167.87 11.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.884 0.373 . . . . 75.349999999999994 111.204 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.772 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 23.3 m -72.6 140.5 48.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.135 -0.484 . . . . 73.219999999999999 110.139 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.559 HG11 ' HE2' ' A' ' 50' ' ' LYS . 4.7 p -135.88 116.46 18.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.569 0.7 . . . . 64.299999999999997 111.368 -176.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.23 106.96 13.86 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.496 -0.775 . . . . 63.039999999999999 109.119 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.521 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 46.0 p90 -101.11 147.55 26.1 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.087 0.47 . . . . 73.439999999999998 111.69 -171.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.569 ' HD2' ' HB3' ' A' ' 79' ' ' ASP . 77.7 mttt -106.58 138.96 41.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.564 -0.744 . . . . 75.439999999999998 109.958 173.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.1 mt -134.82 103.67 4.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 114.897 -1.047 . . . . 72.140000000000001 109.006 172.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.67 ' HE3' HD21 ' A' ' 72' ' ' LEU . 63.3 tttp -105.06 119.12 38.24 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.103 0.478 . . . . 72.099999999999994 110.111 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.45 96.11 7.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.97 -1.014 . . . . 74.319999999999993 109.29 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.67 HD21 ' HE3' ' A' ' 70' ' ' LYS . 96.9 mt -96.17 -176.05 3.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.174 0.512 . . . . 75.230000000000004 111.025 -177.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.84 97.22 10.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.827 -0.624 . . . . 74.099999999999994 110.4 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.07 -15.95 57.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.627 -0.797 . . . . 71.129999999999995 112.588 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.493 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 14.5 pt20 -152.6 176.26 11.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.74 0.305 . . . . 73.129999999999995 110.206 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.7 m -138.15 154.46 28.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.191 -0.458 . . . . 51.299999999999997 110.368 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 70' ' ' LYS . 89.0 mt-10 -102.72 114.98 29.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.198 -0.455 . . . . 61.109999999999999 110.483 175.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.548 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -104.34 111.08 23.57 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.282 -1.007 . . . . 73.450000000000003 108.282 173.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.569 ' HB3' ' HD2' ' A' ' 68' ' ' LYS . 37.8 t70 -133.73 103.1 5.72 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.935 -0.575 . . . . 71.329999999999998 109.811 -177.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.521 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -102.95 124.52 48.61 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.19 -0.459 . . . . 62.420000000000002 111.276 -175.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.35 113.68 25.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.802 -0.635 . . . . 74.430000000000007 110.389 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.502 ' O ' ' HA ' ' A' ' 29' ' ' THR . 79.3 m-85 -103.02 112.77 25.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.854 -0.612 . . . . 65.219999999999999 110.723 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.772 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 86.0 m -90.15 104.36 16.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.162 -0.472 . . . . 63.130000000000003 110.33 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.481 ' HB3' ' HG3' ' A' ' 89' ' ' GLU . 96.5 m-85 -91.34 167.45 12.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.932 -0.576 . . . . 63.140000000000001 110.198 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -92.17 -28.72 16.89 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.426 0.632 . . . . 75.030000000000001 109.548 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.636 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 4.0 m -122.85 163.04 21.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.644 -0.707 . . . . 64.319999999999993 109.546 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.549 ' O ' HG12 ' A' ' 91' ' ' ILE . 24.4 tt0 -81.88 -32.56 30.99 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.713 -0.395 . . . . 72.340000000000003 109.941 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.81 -50.02 69.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.751 -0.659 . . . . 60.140000000000001 111.004 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.636 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 7.0 pt-20 -67.67 -25.84 65.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.455 . . . . 73.409999999999997 111.367 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.5 tmm? -73.24 -53.62 10.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.815 0.34 . . . . 60.149999999999999 110.619 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.666 HG21 HG23 ' A' ' 23' ' ' ILE . 19.5 pt -63.75 -40.92 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.166 0.432 . . . . 61.450000000000003 112.166 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 pp -66.32 -29.03 45.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 120.983 0.42 . . . . 73.109999999999999 110.685 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.556 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 75.8 t80 -62.63 -48.29 80.02 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.492 -0.559 . . . . 64.409999999999997 109.492 174.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -56.66 -41.62 77.54 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.987 -0.551 . . . . 73.230000000000004 111.091 174.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 42.6 mt -61.66 -52.37 64.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.074 -0.512 . . . . 74.109999999999999 110.192 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.4 m -53.69 -41.48 66.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.66 -0.7 . . . . 43.130000000000003 111.364 175.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 93.7 mt -58.87 -46.76 87.01 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.936 0.398 . . . . 65.299999999999997 110.548 177.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -64.26 -29.9 70.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.703 -0.68 . . . . 74.329999999999998 111.408 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.3 t -80.64 -42.99 21.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.077 -0.51 . . . . 74.239999999999995 111.31 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.539 HD22 HD21 ' A' ' 52' ' ' LEU . 15.6 tp -90.63 -56.8 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 72.25 111.64 -173.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.89 -38.54 45.53 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.654 -0.498 . . . . 72.129999999999995 109.654 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 65.74 -59.41 0.3 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 114.76 -1.109 . . . . 74.420000000000002 113.193 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -75.47 78.37 2.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.781 0.8 . . . . 71.049999999999997 112.133 -171.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -116.44 53.54 0.87 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.449 -1.685 . . . . 54.350000000000001 106.449 165.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 66.8 -81.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 113.809 -1.541 . . . . 73.409999999999997 109.829 -167.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -177.08 -84.02 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.759 0.314 . . . . 64.049999999999997 110.339 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -101.98 87.45 3.1 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.655 -0.498 . . . . 72.319999999999993 109.655 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -82.18 -47.36 12.59 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.968 0.413 . . . . 70.239999999999995 110.093 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 8.1 m170 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 117.981 -1.009 . . . . 64.329999999999998 109.667 177.114 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 121.219 0.533 . . . . 64.439999999999998 110.107 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.72 104.9 6.47 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.048 -0.524 . . . . 60.530000000000001 110.337 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.478 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 24.9 ptp -113.41 -25.34 8.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.319 -0.401 . . . . 65.200000000000003 111.327 -176.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.478 ' HG3' ' HG3' ' A' ' 3' ' ' MET . 51.8 mtpt -138.12 121.67 17.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.892 0.377 . . . . 54.439999999999998 110.713 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -151.39 122.66 7.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.939 -0.573 . . . . 61.210000000000001 109.786 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.1 m -144.96 148.83 17.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.725 0.298 . . . . 70.239999999999995 110.86 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.1 p -128.77 87.86 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 122.158 0.98 . . . . 40.43 109.517 173.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -114.97 11.76 16.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.341 -0.845 . . . . 74.439999999999998 111.281 -173.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -108.94 107.54 17.95 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.662 -0.699 . . . . 61.340000000000003 109.561 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 p -145.41 94.89 2.58 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.277 0.561 . . . . 65.219999999999999 110.167 177.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.5 t -113.93 103.68 11.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.71 -0.677 . . . . 71.519999999999996 110.256 -177.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 m -95.46 118.45 32.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.989 -0.551 . . . . 64.450000000000003 110.088 177.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -159.78 169.89 22.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.191 -0.459 . . . . 75.439999999999998 109.833 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.76 96.99 1.87 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.614 -0.803 . . . . 74.430000000000007 113.353 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.1 m -111.39 108.36 17.91 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.182 -0.673 . . . . 73.200000000000003 109.182 173.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -128.93 178.79 6.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.96 0.41 . . . . 64.450000000000003 111.053 -175.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.1 tt -81.27 111.22 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.68 0.753 . . . . 75.420000000000002 110.294 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -102.58 106.42 17.1 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.358 -0.837 . . . . 65.400000000000006 110.416 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.5 mm -61.37 -34.88 63.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.569 -0.741 . . . . 75.0 110.361 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.95 -70.33 2.33 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.589 -0.732 . . . . 73.439999999999998 113.557 174.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -79.33 -11.97 59.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.302 0.572 . . . . 63.009999999999998 112.028 -171.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.523 ' O ' HD12 ' A' ' 23' ' ' ILE . 42.9 t -131.06 84.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.157 -0.474 . . . . 63.350000000000001 110.492 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.523 HD12 ' O ' ' A' ' 22' ' ' VAL . 1.5 mp -128.56 126.5 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.023 -0.535 . . . . 51.039999999999999 109.863 177.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -111.69 -163.2 0.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.128 -0.693 . . . . 74.219999999999999 109.128 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -167.56 40.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.053 0.454 . . . . 71.140000000000001 110.823 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -83.8 96.55 8.79 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.038 -0.528 . . . . 64.040000000000006 111.519 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 71.95 161.73 0.24 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.355 -0.839 . . . . 74.140000000000001 111.454 175.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 p -96.45 -6.03 38.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.348 0.594 . . . . 71.239999999999995 110.043 175.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 85.3 m -109.52 128.36 55.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.321 -0.854 . . . . 73.25 109.956 176.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 t -97.65 117.55 32.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.273 -0.421 . . . . 61.25 110.259 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -101.15 113.34 26.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.887 -0.597 . . . . 73.310000000000002 110.231 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -116.56 121.56 42.12 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.815 -0.629 . . . . 74.219999999999999 110.213 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.9 p -127.38 122.46 33.71 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.248 0.547 . . . . 63.130000000000003 111.275 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.493 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -141.2 144.75 34.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.88 -0.6 . . . . 74.439999999999998 110.321 178.65 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 70.2 m-85 -104.99 130.08 53.28 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.297 -0.41 . . . . 72.420000000000002 110.179 -178.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -126.37 -174.64 3.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.776 -0.647 . . . . 75.420000000000002 109.734 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.496 ' HB3' ' HG3' ' A' ' 41' ' ' GLU . . . -76.42 -70.5 0.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.871 0.367 . . . . 51.119999999999997 111.809 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.7 p -111.1 166.71 10.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.784 0.326 . . . . 61.409999999999997 111.076 -174.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -57.29 -28.2 62.82 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.181 0.515 . . . . 73.519999999999996 110.381 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.42 -42.52 78.81 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.653 -0.703 . . . . 61.439999999999998 110.521 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.496 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 10.8 mm-40 -55.18 -33.37 62.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.353 -0.839 . . . . 71.040000000000006 110.339 175.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.708 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -74.92 -48.63 23.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.399 -0.818 . . . . 54.409999999999997 110.451 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -56.64 -43.22 80.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.799 -0.637 . . . . 71.209999999999994 110.693 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.0 m -65.22 -30.9 71.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.636 -0.711 . . . . 74.140000000000001 111.595 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.494 ' O ' HD23 ' A' ' 49' ' ' LEU . 34.1 t80 -79.62 -34.27 40.74 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 120.383 -0.527 . . . . 75.200000000000003 109.706 -177.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.511 ' HG3' ' HE3' ' A' ' 50' ' ' LYS . 40.4 tpp -67.59 -24.75 65.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.987 -0.551 . . . . 73.209999999999994 110.84 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 39.6 m -57.39 -46.53 83.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.331 -0.395 . . . . 55.310000000000002 111.882 -178.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -70.78 -27.7 64.11 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.758 -0.377 . . . . 70.530000000000001 111.087 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.662 HD12 ' HZ ' ' A' ' 93' ' ' PHE . 4.5 mm? -65.92 -29.81 70.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.354 . . . . 73.409999999999997 110.599 176.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.511 ' HE3' ' HG3' ' A' ' 46' ' ' MET . 2.2 mptm? -59.15 -49.38 78.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.355 -0.384 . . . . 65.219999999999999 110.773 176.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -60.81 -45.37 94.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 71.439999999999998 110.4 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.99 -47.15 78.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.313 -0.858 . . . . 75.129999999999995 111.316 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.56 78.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.747 0.308 . . . . 61.329999999999998 111.467 -177.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.41 -33.37 74.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.323 -0.399 . . . . 64.530000000000001 111.135 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.28 -30.63 23.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.252 -0.431 . . . . 64.299999999999997 111.288 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.09 -2.58 52.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 74.310000000000002 112.084 -175.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.5 p -111.49 103.07 11.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.499 0.666 . . . . 74.400000000000006 110.59 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.7 m -103.08 -6.7 22.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.66 -0.7 . . . . 61.229999999999997 110.49 -178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.74 83.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.551 . . . . 65.209999999999994 110.12 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 27.8 t70 -177.1 -87.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.6 -0.727 . . . . 72.329999999999998 109.818 175.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 27.5 mt-10 -161.44 7.32 0.07 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.303 -0.862 . . . . 73.120000000000005 108.882 176.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.34 60.42 4.71 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.14 -0.936 . . . . 72.549999999999997 112.686 -174.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.28 123.58 43.68 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.063 -0.717 . . . . 75.209999999999994 109.063 174.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.55 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 68.0 m -98.58 100.52 11.76 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 120.845 0.355 . . . . 71.430000000000007 110.636 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 p -100.5 115.89 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-O 121.595 0.712 . . . . 41.149999999999999 110.392 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.24 96.25 5.7 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.175 -0.92 . . . . 72.430000000000007 109.45 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.544 ' HA ' ' O ' ' A' ' 79' ' ' ASP . 15.9 p90 -117.78 139.51 50.97 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.612 -0.435 . . . . 72.25 110.54 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.849 ' HG2' ' HB3' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -115.91 154.08 30.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.849 -0.614 . . . . 64.120000000000005 109.57 176.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 64.7 mt -112.73 103.92 16.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 N-CA-C 108.901 -0.777 . . . . 73.420000000000002 108.901 172.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.809 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 22.2 tptm -80.85 103.04 10.41 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.395 0.617 . . . . 75.299999999999997 109.946 -179.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.515 ' HA ' HG12 ' A' ' 76' ' ' VAL . 17.3 t70 -78.98 108.54 12.54 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.563 -1.199 . . . . 71.450000000000003 110.105 -176.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 28.8 mt -119.05 171.51 8.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.046 -0.524 . . . . 65.140000000000001 109.633 177.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -84.93 106.24 16.29 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.715 -0.675 . . . . 72.450000000000003 110.714 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.34 -10.2 61.31 Favored Glycine 0 C--O 1.237 0.312 0 C-N-CA 121.127 -0.559 . . . . 65.140000000000001 112.847 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.494 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 12.3 pt20 -167.45 165.66 14.72 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.231 -0.285 . . . . 75.010000000000005 110.231 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 71' ' ' ASP . 28.2 m -136.72 154.66 32.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.651 -0.25 . . . . 70.200000000000003 110.386 178.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.809 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 37.0 tt0 -105.73 115.08 29.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.056 -0.52 . . . . 72.310000000000002 110.13 175.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.708 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.1 tm? -90.36 109.78 20.88 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.977 -1.12 . . . . 65.040000000000006 107.977 173.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.849 ' HB3' ' HG2' ' A' ' 68' ' ' LYS . 11.7 t70 -115.63 108.86 16.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.57 -0.741 . . . . 73.439999999999998 110.082 -173.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.68 141.34 47.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.174 0.511 . . . . 71.319999999999993 111.984 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -130.79 109.74 10.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.588 -0.733 . . . . 54.539999999999999 109.85 174.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 29' ' ' THR . 88.6 m-85 -103.61 111.62 24.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.575 -0.284 . . . . 74.239999999999995 110.691 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.55 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 90.4 m -102.75 115.12 29.96 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.797 0.332 . . . . 60.310000000000002 110.202 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -100.76 160.51 14.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.29 -0.413 . . . . 74.400000000000006 110.858 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -66.72 -36.15 81.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.936 -0.575 . . . . 74.140000000000001 110.565 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.728 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 33.8 m -118.91 148.71 42.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.819 -0.628 . . . . 71.439999999999998 109.631 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.437 ' O ' HG12 ' A' ' 91' ' ' ILE . 52.6 tt0 -69.08 -28.96 66.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.941 0.4 . . . . 64.25 110.081 176.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.483 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.39 -41.04 72.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.635 -0.711 . . . . 73.150000000000006 111.032 177.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.728 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 1.6 mm-40 -64.39 -32.02 73.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.534 . . . . 64.099999999999994 110.353 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.401 ' O ' ' HB3' ' A' ' 93' ' ' PHE . 8.5 tmm? -71.6 -51.03 25.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 62.409999999999997 110.299 -177.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.556 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.4 pt -66.13 -38.25 81.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.29 0.478 . . . . 65.329999999999998 112.29 -176.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 88' ' ' ALA . 30.8 pt -67.06 -29.46 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 O-C-N 121.887 -0.508 . . . . 73.319999999999993 110.106 176.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.662 ' HZ ' HD12 ' A' ' 49' ' ' LEU . 88.0 t80 -69.22 -51.24 39.73 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.537 -0.756 . . . . 74.25 110.902 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -67.75 -32.86 73.75 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 111.774 0.287 . . . . 74.430000000000007 111.774 -177.042 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 88.2 mt -61.43 -49.79 75.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.014 0.435 . . . . 71.540000000000006 110.358 174.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.9 m -57.93 -32.29 67.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.475 -0.784 . . . . 53.240000000000002 111.669 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 87.0 mt -62.7 -47.69 82.52 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.009 0.433 . . . . 71.450000000000003 110.896 178.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.632 ' O ' ' HB3' ' A' ' 102' ' ' LEU . 66.7 mtt85 -70.22 -37.39 75.01 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.721 -0.672 . . . . 75.239999999999995 111.274 -176.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.9 m -79.4 9.17 5.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.953 0.406 . . . . 63.5 111.439 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.6 tp -121.29 -62.08 1.47 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.945 0.402 . . . . 55.109999999999999 110.858 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.04 35.99 3.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.877 -0.602 . . . . 72.219999999999999 110.612 -175.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.69 ' H ' HD23 ' A' ' 102' ' ' LEU . 1.2 pt? -53.6 -53.7 48.05 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.912 -0.585 . . . . 64.040000000000006 111.993 178.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.526 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 42.4 mt-10 60.39 -77.88 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.207 0.603 . . . . 62.409999999999997 111.167 -173.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -78.7 126.41 30.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.689 -0.687 . . . . 72.120000000000005 110.41 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -84.91 153.58 22.77 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.894 0.378 . . . . 73.0 110.78 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -161.13 122.33 2.88 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.994 -0.548 . . . . 62.009999999999998 109.556 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -145.35 95.73 2.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.217 0.532 . . . . 71.340000000000003 110.26 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -161.7 123.65 2.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.839 -0.618 . . . . 62.210000000000001 109.749 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 . . . . . 0 C--O 1.244 0.792 0 CA-C-O 118.374 -0.822 . . . . 72.140000000000001 110.039 178.877 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.0 mtp . . . . . 0 N--CA 1.479 0.975 0 CA-C-O 120.944 0.402 . . . . 72.299999999999997 110.349 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.93 50.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.107 -0.951 . . . . 74.209999999999994 109.37 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.1 ttt -91.04 107.93 19.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.266 0.555 . . . . 72.439999999999998 111.868 -173.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 12.13 18.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.419 -0.809 . . . . 75.140000000000001 108.994 173.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -56.32 121.44 9.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.201 -0.909 . . . . 72.239999999999995 111.41 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.83 133.95 5.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.877 -0.601 . . . . 64.400000000000006 110.464 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -125.1 121.38 60.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.902 -0.59 . . . . 74.340000000000003 109.526 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -90.05 103.71 16.35 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.943 -0.391 . . . . 74.219999999999999 109.943 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -166.5 88.56 0.36 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.449 -0.796 . . . . 72.25 109.672 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.6 t -118.1 150.28 39.6 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.783 -0.644 . . . . 74.209999999999994 109.954 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.5 t -128.43 138.13 52.17 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.837 -0.431 . . . . 75.409999999999997 109.837 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -158.26 146.5 18.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.404 -0.362 . . . . 70.420000000000002 110.105 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -168.49 173.8 7.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.478 -0.328 . . . . 65.099999999999994 110.434 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.82 49.24 1.66 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.592 -0.813 . . . . 41.399999999999999 112.293 176.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.1 m -89.52 93.49 9.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.233 0.54 . . . . 70.239999999999995 110.552 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -141.27 22.77 2.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.802 -0.636 . . . . 63.43 109.685 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.5 mm 73.74 110.57 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 CA-C-N 114.858 -1.065 . . . . 74.329999999999998 110.392 -175.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -134.09 126.25 29.7 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.255 -1.339 . . . . 75.099999999999994 109.964 -175.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.624 HD12 ' HB2' ' A' ' 95' ' ' LEU . 6.8 pt -122.32 99.47 6.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.377 0.608 . . . . 74.209999999999994 110.964 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.15 84.9 0.37 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.792 -0.718 . . . . 53.439999999999998 112.263 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -155.96 153.26 29.29 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.931 -0.396 . . . . 61.219999999999999 109.931 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.9 t 62.01 86.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 121.396 0.617 . . . . 64.349999999999994 110.93 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.6 mp -79.88 93.0 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.353 0.597 . . . . 54.200000000000003 109.783 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -92.33 88.65 6.51 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.474 -0.785 . . . . 72.010000000000005 109.6 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -81.41 143.34 32.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.65 -0.705 . . . . 75.25 111.418 -176.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -166.38 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.963 -1.017 . . . . 72.340000000000003 108.827 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -138.56 -178.33 5.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.394 -0.821 . . . . 62.329999999999998 109.248 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 63.1 m -100.68 11.75 38.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.987 0.898 . . . . 64.230000000000004 109.112 172.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.8 m -127.83 130.84 49.3 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.172 -1.376 . . . . 73.140000000000001 108.867 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.2 t -97.77 113.27 25.01 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.01 0.433 . . . . 65.129999999999995 110.628 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -98.06 112.68 24.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.688 -0.687 . . . . 65.25 109.444 173.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -123.72 118.03 26.29 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.177 -0.465 . . . . 71.319999999999993 110.15 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.4 m -117.44 131.55 56.73 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.204 0.526 . . . . 63.399999999999999 110.58 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.585 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 2.9 mmp_? -134.21 150.35 51.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.79 -0.641 . . . . 55.219999999999999 110.602 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -107.46 132.29 53.37 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.797 -0.445 . . . . 74.140000000000001 109.797 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.423 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 73.4 m-85 -127.84 171.51 11.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.316 -0.402 . . . . 74.329999999999998 110.32 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.42 -54.55 13.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.821 0.344 . . . . 62.229999999999997 111.31 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.2 p -128.16 167.47 16.77 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 121.05 -0.26 . . . . 72.420000000000002 110.517 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -60.34 -25.63 65.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.175 0.512 . . . . 71.129999999999995 110.097 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -61.45 -51.04 70.33 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.352 -0.84 . . . . 75.540000000000006 110.338 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.423 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 6.0 mm-40 -55.62 -31.2 62.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.92 -1.036 . . . . 72.439999999999998 110.753 178.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.63 -52.79 9.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.455 -0.793 . . . . 75.239999999999995 111.392 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.48 -33.93 75.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.319 -0.401 . . . . 72.540000000000006 111.1 -177.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.8 m -62.94 -28.24 69.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.992 0.425 . . . . 71.299999999999997 111.07 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.552 ' O ' HD23 ' A' ' 49' ' ' LEU . 74.0 t80 -79.96 -36.57 35.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 51.549999999999997 110.59 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 42.1 tpp -71.06 -29.62 65.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.127 -0.488 . . . . 74.400000000000006 111.924 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.68 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 28.1 m -53.79 -51.81 62.27 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.935 0.346 . . . . 65.209999999999994 111.935 -177.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -73.58 -28.12 61.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.809 0.338 . . . . 51.109999999999999 111.243 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 45' ' ' PHE . 3.8 mm? -62.86 -36.89 84.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.385 -0.37 . . . . 64.040000000000006 110.644 176.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.68 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 32.9 mttt -58.03 -42.91 86.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 63.149999999999999 110.962 176.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -68.28 -45.48 72.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 73.310000000000002 110.141 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.24 -38.34 88.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.654 -0.703 . . . . 63.350000000000001 111.138 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.47 -33.05 73.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 64.310000000000002 111.492 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.802 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . . . -70.47 -45.29 66.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.908 0.385 . . . . 63.25 110.787 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.94 82.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.782 -0.645 . . . . 65.040000000000006 111.716 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.91 -13.11 48.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.986 0.365 . . . . 63.109999999999999 111.986 -176.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 82.3 p -74.17 139.68 44.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.115 0.483 . . . . 74.340000000000003 110.884 -177.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.55 -26.66 68.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.571 -0.741 . . . . 41.210000000000001 111.152 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 61' ' ' GLU . . . -92.18 -1.73 56.97 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.464 0.542 . . . . 73.010000000000005 112.464 -173.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.32 -26.02 0.16 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.192 0.812 . . . . 72.120000000000005 113.192 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 59' ' ' ALA . 9.6 mm-40 -66.55 -56.37 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.335 0.588 . . . . 71.540000000000006 110.482 177.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.802 ' HA2' ' HA ' ' A' ' 54' ' ' ALA . . . 163.74 159.39 10.72 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 115.191 -0.913 . . . . 45.549999999999997 110.915 -177.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -87.01 153.7 21.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.807 0.304 . . . . 74.140000000000001 110.487 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.844 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 19.8 m -65.55 97.93 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.242 -0.436 . . . . 74.420000000000002 109.836 176.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.461 HG22 ' HD2' ' A' ' 67' ' ' TYR . 4.3 p -103.22 116.94 47.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.516 0.674 . . . . 74.5 111.084 -177.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.14 100.82 9.15 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.445 -0.798 . . . . 61.219999999999999 109.0 172.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.461 ' HD2' HG22 ' A' ' 65' ' ' VAL . 44.0 p90 -112.68 143.4 43.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.915 0.388 . . . . 74.010000000000005 111.132 -175.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -135.02 154.08 51.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.75 -0.659 . . . . 71.129999999999995 110.584 175.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.9 mt -132.15 114.47 24.01 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.098 -0.955 . . . . 73.019999999999996 109.931 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -104.15 119.67 39.46 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.265 -0.425 . . . . 63.409999999999997 110.301 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.545 ' HA ' HG12 ' A' ' 76' ' ' VAL . 8.1 m-20 -80.02 118.42 21.73 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.539 -0.755 . . . . 72.439999999999998 109.91 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.3 mt -111.24 -175.26 2.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.374 -0.375 . . . . 74.239999999999995 110.083 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -90.79 100.52 13.36 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.904 0.383 . . . . 73.439999999999998 110.496 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.66 -16.85 57.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.067 -0.587 . . . . 52.109999999999999 112.211 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -154.35 177.04 11.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.893 -0.41 . . . . 74.319999999999993 109.893 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' ' 71' ' ' ASP . 35.8 m -137.21 159.92 35.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 110.416 -0.216 . . . . 73.439999999999998 110.416 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -112.45 115.36 28.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.948 0.404 . . . . 74.340000000000003 110.503 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -93.41 115.94 28.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.237 -1.023 . . . . 65.049999999999997 108.237 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -116.23 117.75 30.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.01 -0.541 . . . . 72.230000000000004 110.412 -175.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.24 146.61 41.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.067 0.461 . . . . 65.099999999999994 111.551 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -142.6 106.28 4.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.647 -0.706 . . . . 73.129999999999995 109.827 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -109.58 112.31 24.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.419 -0.355 . . . . 75.040000000000006 110.741 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.844 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 19.3 m -94.4 108.71 20.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.236 -0.438 . . . . 72.420000000000002 110.364 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.59 ' HB3' ' HB3' ' A' ' 89' ' ' GLU . 97.4 m-85 -99.31 -13.52 19.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 72.219999999999999 110.611 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 m 74.98 -33.42 0.24 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.526 -1.215 . . . . 52.130000000000003 111.527 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 59.9 m -105.33 149.4 26.1 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.433 -0.581 . . . . 60.140000000000001 109.433 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.526 ' O ' HG12 ' A' ' 91' ' ' ILE . 17.0 tt0 -77.1 -31.75 56.13 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.193 -0.203 . . . . 74.129999999999995 111.259 -177.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.82 71.73 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.624 -0.51 . . . . 73.219999999999999 109.624 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.59 ' HB3' ' HB3' ' A' ' 84' ' ' PHE . 0.4 OUTLIER -54.55 -29.94 52.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.583 -0.735 . . . . 74.040000000000006 111.867 173.663 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.406 ' HE3' ' HB3' ' A' ' 90' ' ' MET . 15.7 tmm? -75.38 -49.92 17.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.545 -0.298 . . . . 73.319999999999993 110.735 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 87' ' ' GLN . 12.3 pt -70.39 -34.21 57.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 112.289 0.477 . . . . 60.049999999999997 112.289 -176.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.5 pt -65.92 -30.72 50.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.231 0.539 . . . . 73.230000000000004 110.073 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.641 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 34.4 t80 -69.2 -44.95 71.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.727 -0.67 . . . . 74.209999999999994 109.411 175.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 71.4 mm-40 -55.95 -52.73 63.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.622 -0.717 . . . . 74.409999999999997 111.28 176.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.624 ' HB2' HD12 ' A' ' 19' ' ' ILE . 98.0 mt -55.1 -42.15 72.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.325 -0.398 . . . . 72.549999999999997 111.08 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.8 m -63.53 -47.56 81.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 72.129999999999995 111.14 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 58.3 mt -62.03 -48.49 80.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.128 0.489 . . . . 73.430000000000007 111.239 -178.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 94' ' ' GLU . 87.9 mtt180 -67.53 -37.45 82.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.625 -0.716 . . . . 75.430000000000007 111.33 -171.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.6 m -75.22 -30.93 60.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.969 0.414 . . . . 60.119999999999997 111.075 -178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.9 tp -80.94 -30.57 35.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.083 0.468 . . . . 72.030000000000001 110.698 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.04 -1.48 54.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.011 -0.541 . . . . 74.310000000000002 111.491 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 98' ' ' ARG . 67.1 mt -58.98 -56.7 18.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.791 0.329 . . . . 72.25 110.969 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -90.08 -59.97 2.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.352 -0.385 . . . . 75.010000000000005 111.99 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -107.19 79.76 1.35 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.354 0.597 . . . . 65.150000000000006 112.468 -171.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -113.87 4.64 15.93 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.24 -1.022 . . . . 44.229999999999997 108.24 166.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -93.62 116.38 28.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.594 -1.184 . . . . 71.430000000000007 110.082 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -87.78 -89.64 0.13 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.399 -0.364 . . . . 73.450000000000003 110.202 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -117.48 -43.51 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.584 -0.525 . . . . 72.230000000000004 109.584 173.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 71.9 t60 . . . . . 0 C--O 1.245 0.858 0 CA-C-O 118.298 -0.858 . . . . 73.150000000000006 110.051 177.473 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.901 0.382 . . . . 75.519999999999996 110.614 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.43 132.51 44.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.292 -0.413 . . . . 44.520000000000003 110.822 -177.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.1 mtp 60.86 94.78 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.752 0.658 . . . . 73.219999999999999 111.223 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -105.32 -56.76 2.13 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.618 -0.719 . . . . 70.530000000000001 111.015 -176.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.01 128.06 20.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.036 0.446 . . . . 74.25 111.256 -174.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.2 m -131.04 151.57 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.704 -0.68 . . . . 72.239999999999995 110.087 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 p -126.72 104.16 12.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.577 0.703 . . . . 65.400000000000006 110.511 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -88.78 114.97 25.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.693 0.759 . . . . 71.129999999999995 110.643 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -91.65 107.4 19.18 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.868 -1.06 . . . . 63.210000000000001 110.111 -176.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.6 t -101.35 114.5 28.56 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.13 -0.486 . . . . 72.299999999999997 111.241 -177.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.0 p -84.99 93.27 8.54 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.387 -0.968 . . . . 72.450000000000003 108.387 169.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.9 m -68.99 89.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.822 -0.626 . . . . 75.120000000000005 111.77 -172.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 51.8 mtpt -114.49 -7.02 12.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.279 -0.873 . . . . 64.140000000000001 109.999 174.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -87.39 65.71 3.58 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.953 -0.642 . . . . 10.34 112.786 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 56.2 m -102.45 20.05 17.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.181 0.515 . . . . 73.540000000000006 110.14 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.92 -38.89 24.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.95 -0.568 . . . . 62.399999999999999 111.533 -177.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.433 ' O ' HD12 ' A' ' 17' ' ' ILE . 2.2 pp -128.34 150.99 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.907 0.384 . . . . 64.420000000000002 111.568 -177.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -105.88 89.23 3.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.018 -0.537 . . . . 60.43 109.92 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.593 HG21 ' HB3' ' A' ' 95' ' ' LEU . 35.2 mt -133.72 -59.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.919 -0.582 . . . . 74.450000000000003 110.313 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 142.9 -45.72 0.89 Allowed Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 111.162 -0.775 . . . . 35.539999999999999 111.162 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.9 m 69.79 112.18 0.05 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.5 0.667 . . . . 54.439999999999998 111.753 176.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 m -89.01 141.91 13.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.531 -0.759 . . . . 72.530000000000001 110.335 178.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 23' ' ' ILE . 3.3 mp -87.55 102.11 12.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.145 0.498 . . . . 72.140000000000001 109.739 178.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -140.95 136.67 32.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.472 -0.785 . . . . 63.450000000000003 110.15 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -117.45 129.09 55.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.079 -0.51 . . . . 74.400000000000006 110.106 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -148.64 -75.45 0.17 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.579 -0.526 . . . . 73.319999999999993 109.579 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -145.6 -177.97 5.85 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.78 -0.822 . . . . 74.219999999999999 108.78 176.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 66.4 m -100.43 9.8 42.1 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.199 0.523 . . . . 70.140000000000001 109.635 176.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 12.3 m -98.43 121.13 39.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.658 -0.701 . . . . 54.009999999999998 110.719 -178.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.471 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 16.5 m -98.13 113.72 25.71 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.785 -0.643 . . . . 73.120000000000005 110.053 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 14.8 mmmt -103.07 130.03 50.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.811 -0.631 . . . . 73.150000000000006 111.69 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.42 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 51.9 t80 -133.05 120.46 21.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.464 -0.569 . . . . 72.329999999999998 109.464 170.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -126.76 119.44 26.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.458 -0.337 . . . . 72.519999999999996 110.681 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -146.74 145.45 29.97 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.476 -0.194 . . . . 73.329999999999998 110.476 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -85.14 141.94 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.934 -0.395 . . . . 72.409999999999997 109.934 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.439 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 81.1 m-85 -128.44 159.75 34.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.261 -0.427 . . . . 61.219999999999999 110.526 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.28 96.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 51.549999999999997 111.511 -176.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.7 p -136.47 160.39 38.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.511 -0.313 . . . . 74.219999999999999 110.195 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.527 ' HG3' HG21 ' A' ' 69' ' ' ILE . 69.1 ttt180 -59.67 -31.78 69.87 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.942 0.401 . . . . 72.329999999999998 109.934 174.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -54.86 -47.11 74.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.74 -0.664 . . . . 64.540000000000006 110.715 175.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 21.8 mm-40 -57.72 -30.64 65.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.421 -0.809 . . . . 62.229999999999997 110.993 177.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.477 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -75.85 -44.63 39.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.917 -0.583 . . . . 75.549999999999997 110.375 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 69.9 mm-40 -59.96 -45.0 94.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.786 -0.643 . . . . 63.420000000000002 110.059 177.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.3 m -66.32 -28.22 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.573 -0.74 . . . . 62.140000000000001 111.698 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.567 ' O ' HD23 ' A' ' 49' ' ' LEU . 50.3 t80 -74.09 -35.38 64.19 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.145 0.497 . . . . 71.239999999999995 109.762 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 35.2 tpp -67.9 -24.34 65.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.554 -0.748 . . . . 63.020000000000003 111.268 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.708 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 3.0 m -56.41 -49.35 74.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.286 -0.415 . . . . 51.140000000000001 111.556 -177.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -71.68 -29.88 65.08 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.682 -0.407 . . . . 65.420000000000002 110.714 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.1 mm? -61.03 -40.3 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 71.230000000000004 110.539 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.708 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 22.9 mttm -54.01 -51.09 65.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.697 -0.683 . . . . 74.040000000000006 111.682 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -69.6 -42.22 74.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.028 0.442 . . . . 74.239999999999995 111.319 -178.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.73 -41.69 99.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.769 -0.65 . . . . 74.340000000000003 111.584 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.83 94.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 62.140000000000001 111.149 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.2 -45.46 91.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.985 -0.552 . . . . 75.209999999999994 111.025 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.53 -39.02 77.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 74.510000000000005 111.504 -177.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.519 ' HB1' HD11 ' A' ' 92' ' ' ILE . . . -58.45 -46.27 86.88 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.261 -0.427 . . . . 54.409999999999997 111.416 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.676 ' HB3' ' HA2' ' A' ' 62' ' ' GLY . 34.3 t -86.86 -36.99 18.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.27 -0.423 . . . . 71.340000000000003 111.348 -177.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m 66.08 6.07 3.92 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.687 -0.688 . . . . 43.119999999999997 111.701 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.85 38.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.511 -0.313 . . . . 71.310000000000002 111.05 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 66.11 -74.29 0.06 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.365 0.666 . . . . 63.229999999999997 111.713 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.25 -38.55 90.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.098 0.475 . . . . 71.510000000000005 110.303 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.676 ' HA2' ' HB3' ' A' ' 57' ' ' SER . . . 87.23 -93.63 1.9 Allowed Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.846 -0.693 . . . . 53.299999999999997 112.174 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.33 146.16 30.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.489 0.185 . . . . 45.009999999999998 110.773 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.7 m -73.54 123.15 23.4 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.365 -0.605 . . . . 63.509999999999998 109.365 173.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.629 HG22 ' HD2' ' A' ' 67' ' ' TYR . 4.6 p -102.35 116.64 46.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.643 0.735 . . . . 73.299999999999997 111.379 -175.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.66 96.85 6.2 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.377 -0.829 . . . . 73.109999999999999 109.046 172.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.629 ' HD2' HG22 ' A' ' 65' ' ' VAL . 48.8 p90 -109.71 132.68 53.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.271 0.558 . . . . 72.239999999999995 111.203 -175.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -109.06 134.99 50.95 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.524 -0.762 . . . . 61.119999999999997 110.293 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.527 HG21 ' HG3' ' A' ' 39' ' ' ARG . 60.1 mt -131.58 104.31 8.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 CA-C-N 114.989 -1.005 . . . . 65.140000000000001 108.936 177.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -98.53 117.63 33.41 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.556 -0.458 . . . . 63.329999999999998 110.29 -176.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.72 ' HA ' HG12 ' A' ' 76' ' ' VAL . 15.9 m-20 -72.32 102.12 3.05 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.148 -0.933 . . . . 64.209999999999994 109.383 177.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 31.2 mt -95.51 -172.59 2.67 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.967 -0.561 . . . . 74.140000000000001 109.502 -178.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -93.87 98.67 11.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.085 0.469 . . . . 62.549999999999997 110.349 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.44 -4.11 61.84 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.801 -0.714 . . . . 42.240000000000002 112.82 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 10.7 pt20 -168.6 179.13 4.42 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.987 -0.375 . . . . 70.239999999999995 109.987 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.72 HG12 ' HA ' ' A' ' 71' ' ' ASP . 34.3 m -139.43 163.09 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.577 0.227 . . . . 72.010000000000005 110.413 176.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -114.53 122.81 47.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.489 -0.323 . . . . 71.430000000000007 110.169 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.515 HD23 HG12 ' A' ' 69' ' ' ILE . 3.4 tm? -100.55 116.67 33.04 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.857 -0.794 . . . . 72.040000000000006 108.857 176.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.42 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 25.2 t70 -128.97 110.07 11.76 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.885 -0.598 . . . . 64.109999999999999 110.257 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -110.52 124.52 51.97 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.052 -0.522 . . . . 64.530000000000001 111.118 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 30' ' ' SER . . . -117.97 108.51 15.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.529 . . . . 73.310000000000002 110.622 176.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.449 ' CE1' HD12 ' A' ' 49' ' ' LEU . 54.8 m-85 -99.37 131.15 45.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.231 -0.44 . . . . 62.409999999999997 110.667 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.9 m -96.15 104.97 16.95 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.108 -0.33 . . . . 62.109999999999999 110.108 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -92.1 -177.75 4.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 70.510000000000005 110.873 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 88.6 p -102.43 -31.9 10.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.208 0.528 . . . . 71.329999999999998 110.919 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.671 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 15.8 m -119.68 150.49 40.27 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.002 -0.544 . . . . 74.519999999999996 109.867 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.437 ' O ' HG12 ' A' ' 91' ' ' ILE . 53.0 tp60 -62.09 -40.89 97.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.091 0.472 . . . . 75.349999999999994 110.364 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.31 -37.03 66.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.515 -0.766 . . . . 64.049999999999997 111.139 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.671 ' HG3' ' HB2' ' A' ' 86' ' ' CYS . 47.2 mt-10 -65.52 -32.15 73.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 65.120000000000005 110.802 -177.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.2 ttt -68.74 -54.48 15.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.28 0.562 . . . . 62.140000000000001 110.76 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 87' ' ' GLN . 1.4 pt -67.74 -32.85 58.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.547 -0.751 . . . . 74.519999999999996 112.718 -174.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.519 HD11 ' HB1' ' A' ' 56' ' ' ALA . 2.6 pp -73.43 -30.74 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.305 -0.558 . . . . 70.310000000000002 110.708 175.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.677 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 39.9 t80 -70.16 -51.73 29.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.88 -0.6 . . . . 72.129999999999995 110.863 -176.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -59.98 -41.66 92.48 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.822 0.344 . . . . 53.340000000000003 111.11 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.593 ' HB3' HG21 ' A' ' 19' ' ' ILE . 90.4 mt -63.75 -48.04 78.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.218 -0.446 . . . . 71.340000000000003 110.584 178.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.4 t -59.3 -40.88 87.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 72.340000000000003 111.315 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.3 mt -57.3 -48.44 78.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.035 0.445 . . . . 55.109999999999999 111.139 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 98' ' ' ARG . 38.0 mtp180 -77.47 -36.8 52.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.631 -0.713 . . . . 73.319999999999993 111.115 -175.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 m -85.62 2.24 45.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 54.439999999999998 111.351 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.6 tp -73.01 -40.1 65.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.268 0.556 . . . . 70.340000000000003 109.717 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.86 -29.23 21.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.616 -0.72 . . . . 72.129999999999995 109.714 174.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 68.6 mt -103.84 72.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.451 -0.795 . . . . 61.340000000000003 109.642 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.26 -32.42 64.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.92 -0.582 . . . . 74.019999999999996 110.544 -174.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -74.98 105.72 6.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.131 -0.486 . . . . 62.350000000000001 110.383 175.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -125.1 26.65 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.313 0.577 . . . . 50.420000000000002 110.161 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -133.54 98.71 4.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.487 -0.779 . . . . 70.340000000000003 110.246 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -80.72 106.09 12.46 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.945 -0.571 . . . . 71.0 110.045 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -88.99 178.26 6.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.133 -0.485 . . . . 72.129999999999995 109.845 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.604 -0.712 . . . . 61.409999999999997 109.826 175.223 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.823 0.344 . . . . 72.209999999999994 110.484 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.75 13.56 17.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.118 -0.492 . . . . 45.130000000000003 111.942 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.7 tpt -81.99 75.93 8.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.168 0.508 . . . . 65.200000000000003 109.861 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -146.81 60.6 1.2 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.514 -0.766 . . . . 63.009999999999998 110.366 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -142.31 144.86 33.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.175 -0.466 . . . . 62.539999999999999 109.928 177.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.1 m -137.79 46.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.45 0.643 . . . . 73.099999999999994 110.379 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.2 p -88.54 102.25 12.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.619 -0.719 . . . . 61.32 111.764 -175.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -158.12 108.86 2.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.652 -0.704 . . . . 72.430000000000007 109.786 173.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -167.49 84.68 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.771 -0.65 . . . . 74.209999999999994 110.171 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 50.1 t -103.24 -44.1 5.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.837 -0.619 . . . . 50.149999999999999 109.876 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.1 m -85.17 101.14 12.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.723 -0.672 . . . . 60.119999999999997 109.712 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -120.69 6.7 10.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.95 -0.568 . . . . 72.319999999999993 110.76 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -139.85 126.96 21.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.134 -0.485 . . . . 63.420000000000002 110.822 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.74 -39.07 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.014 -0.612 . . . . 61.25 111.908 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -82.95 83.69 7.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.067 0.46 . . . . 64.340000000000003 110.265 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.38 -16.22 43.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.093 -0.503 . . . . 64.049999999999997 110.952 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.5 tt -78.45 126.87 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.984 -0.553 . . . . 52.329999999999998 110.956 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -146.77 126.11 13.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.831 -0.803 . . . . 72.340000000000003 108.831 176.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.9 mm -95.48 -42.17 12.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 O-C-N 123.302 0.376 . . . . 74.340000000000003 111.621 -171.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.68 91.7 0.56 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.519 -0.848 . . . . 73.129999999999995 111.762 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.0 m -153.77 131.47 11.52 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.074 -0.343 . . . . 62.020000000000003 110.074 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.1 t -84.14 115.21 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.048 0.451 . . . . 73.209999999999994 110.117 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.4 pt -77.78 156.79 5.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.944 -0.571 . . . . 73.420000000000002 111.463 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -81.53 -7.48 59.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.871 -0.604 . . . . 73.129999999999995 109.901 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 68.87 85.63 0.14 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 114.952 -1.022 . . . . 63.340000000000003 110.15 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -97.64 -149.99 0.34 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.881 -1.054 . . . . 63.310000000000002 110.12 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -95.95 -165.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.293 -0.412 . . . . 72.439999999999998 110.172 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.1 p -100.01 -14.44 18.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.229 0.538 . . . . 72.129999999999995 110.022 175.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.8 m -99.12 125.8 44.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.718 -0.673 . . . . 41.100000000000001 109.367 172.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 t -127.08 122.0 33.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.723 0.297 . . . . 62.039999999999999 110.362 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HG3' ' HA ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -99.77 152.35 20.21 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 121.029 0.442 . . . . 72.25 110.314 172.203 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.508 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 67.1 t80 -134.51 116.04 14.62 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.555 -0.748 . . . . 71.140000000000001 109.442 176.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.0 m -110.52 112.74 24.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.95 -0.568 . . . . 71.239999999999995 110.025 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -131.87 139.92 48.94 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.663 -0.495 . . . . 71.299999999999997 109.663 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -92.75 139.74 30.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.905 0.383 . . . . 65.319999999999993 110.768 -175.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -132.43 179.84 5.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.761 -0.654 . . . . 75.109999999999999 109.648 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.69 -58.65 3.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.784 0.326 . . . . 65.129999999999995 110.877 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.0 p -131.88 170.26 15.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.486 -0.325 . . . . 63.439999999999998 110.85 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.673 ' HB2' HG21 ' A' ' 69' ' ' ILE . 5.2 ptp180 -63.86 -24.18 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.0 0.428 . . . . 74.219999999999999 110.289 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.72 -46.72 84.13 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.518 0.675 . . . . 72.239999999999995 109.863 176.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.07 -28.12 68.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.815 -1.084 . . . . 54.109999999999999 110.315 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.523 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -74.98 -39.59 61.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.43 -0.804 . . . . 74.230000000000004 111.104 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 24.1 mm-40 -60.19 -42.29 94.72 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.229 -0.442 . . . . 73.219999999999999 110.345 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -61.36 -28.79 69.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 54.210000000000001 111.467 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.45 ' O ' HD23 ' A' ' 49' ' ' LEU . 51.8 t80 -73.5 -37.17 65.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.607 -0.516 . . . . 55.240000000000002 109.607 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.407 ' CE ' ' HA ' ' A' ' 46' ' ' MET . 0.9 OUTLIER -64.87 -30.52 71.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.754 -0.657 . . . . 60.350000000000001 111.046 179.241 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.9 m -57.64 -53.17 61.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.109999999999999 111.763 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -73.74 -28.27 61.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.912 0.386 . . . . 72.400000000000006 111.234 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.545 HD13 HD12 ' A' ' 52' ' ' LEU . 3.6 mm? -70.25 -27.36 64.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.147 -0.479 . . . . 72.219999999999999 111.073 178.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.42 -41.84 99.0 Favored 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 110.012 -0.366 . . . . 74.409999999999997 110.012 176.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -60.39 -41.12 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.809 -0.632 . . . . 74.5 110.662 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.56 HD21 HD22 ' A' ' 100' ' ' LEU . 77.4 mt -64.36 -51.17 64.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.811 -0.631 . . . . 61.409999999999997 110.998 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.39 -40.31 96.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.855 0.36 . . . . 75.540000000000006 111.285 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.65 90.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.062 -0.517 . . . . 62.210000000000001 111.33 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.96 -36.9 35.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.579 -0.282 . . . . 75.310000000000002 111.633 -176.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.38 -55.9 13.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 74.319999999999993 111.579 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.5 m -97.99 -55.2 2.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.35 -0.387 . . . . 44.530000000000001 111.714 -175.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.9 m 69.11 -63.85 0.35 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.122 -0.945 . . . . 60.130000000000003 110.647 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 58.34 -82.55 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.895 0.747 . . . . 64.439999999999998 111.128 -175.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -160.3 -58.24 0.06 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.461 -0.57 . . . . 65.239999999999995 109.461 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -114.32 14.28 17.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.384 -0.825 . . . . 75.140000000000001 111.084 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.12 173.83 21.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.86 -0.685 . . . . 54.240000000000002 113.005 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.65 163.85 13.2 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.473 0.309 . . . . 71.209999999999994 110.189 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.941 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 45.7 m -73.3 94.46 2.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.89 0.376 . . . . 74.430000000000007 110.381 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 p -111.27 121.16 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-O 121.389 0.614 . . . . 73.219999999999999 110.296 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.11 99.16 4.63 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.619 -0.719 . . . . 71.519999999999996 109.916 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.649 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 20.1 p90 -99.3 138.48 36.33 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.075 -0.343 . . . . 63.219999999999999 110.075 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -114.02 155.63 25.57 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.69 -0.485 . . . . 74.25 109.69 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.673 HG21 ' HB2' ' A' ' 39' ' ' ARG . 61.2 mt -125.0 115.55 44.53 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.54 -0.755 . . . . 75.409999999999997 109.338 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.862 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 38.9 ttmt -98.99 96.45 7.83 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.631 0.729 . . . . 70.319999999999993 109.73 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.79 ' HA ' HG12 ' A' ' 76' ' ' VAL . 4.6 m-20 -72.02 104.82 3.67 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.207 -1.361 . . . . 75.450000000000003 109.704 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.6 mt -106.34 -172.67 2.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.313 0.578 . . . . 71.049999999999997 111.069 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -78.99 101.47 7.8 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.495 -0.775 . . . . 73.519999999999996 110.622 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.8 -6.07 79.56 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.877 -0.678 . . . . 44.340000000000003 113.203 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -164.97 177.12 8.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.731 0.265 . . . . 74.340000000000003 110.448 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' ' 71' ' ' ASP . 35.3 m -134.96 155.05 37.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.917 0.389 . . . . 62.539999999999999 111.055 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.862 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 27.7 tt0 -105.51 114.34 28.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.672 -0.695 . . . . 72.549999999999997 109.503 174.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.523 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.4 tm? -98.12 114.67 26.94 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.817 -0.808 . . . . 73.310000000000002 108.817 176.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.508 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 27.0 t70 -126.91 111.02 13.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.292 -0.413 . . . . 75.25 110.438 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.649 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -103.92 124.07 48.31 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.111 -0.495 . . . . 72.349999999999994 110.844 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.453 ' HA ' ' HG3' ' A' ' 31' ' ' LYS . . . -96.02 109.94 22.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.08 -0.509 . . . . 74.329999999999998 110.754 178.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -102.34 124.35 47.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.226 -0.443 . . . . 73.0 110.602 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.941 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 10.8 m -115.19 107.24 15.03 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.857 -0.423 . . . . 51.109999999999999 109.857 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.549 ' HB3' ' HB2' ' A' ' 89' ' ' GLU . 70.0 m-85 -99.67 146.54 26.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.736 -0.666 . . . . 75.409999999999997 110.405 -177.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.9 m -63.69 -36.26 83.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.112 -0.495 . . . . 63.43 110.786 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 43.1 m -130.65 162.51 29.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.04 -0.527 . . . . 73.109999999999999 110.328 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.413 ' O ' HG12 ' A' ' 91' ' ' ILE . 19.6 tt0 -70.31 -26.39 63.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.412 -0.358 . . . . 52.439999999999998 110.526 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.85 -43.97 77.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.556 . . . . 72.109999999999999 110.758 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.549 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 1.8 mm-40 -67.89 -28.8 67.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 64.099999999999994 110.268 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -75.21 -49.76 18.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.955 -0.566 . . . . 71.219999999999999 110.348 -175.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 87' ' ' GLN . 21.5 pt -66.63 -36.25 76.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.108 0.41 . . . . 65.109999999999999 112.108 -176.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 88' ' ' ALA . 39.9 pt -69.71 -30.67 45.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-O 121.225 0.536 . . . . 54.130000000000003 110.25 177.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.611 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 88.5 t80 -66.42 -47.82 72.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.511 -0.768 . . . . 72.439999999999998 110.183 177.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.428 ' HA ' HD12 ' A' ' 97' ' ' LEU . 22.3 mm-40 -55.71 -49.29 73.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.913 -0.585 . . . . 61.509999999999998 111.185 178.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.72 -44.78 93.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 75.129999999999995 110.933 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.7 t -71.88 -23.14 61.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.927 -0.579 . . . . 73.230000000000004 111.323 -176.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 67.5 mt -53.36 -56.97 12.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.891 0.377 . . . . 73.040000000000006 111.186 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.526 ' HD3' ' H ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -77.82 -29.51 50.66 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.502 -0.479 . . . . 75.400000000000006 111.157 -178.563 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 m -77.42 -8.08 57.16 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.97 0.359 . . . . 64.409999999999997 111.97 -175.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.56 HD22 HD21 ' A' ' 52' ' ' LEU . 24.6 tp -83.49 -29.75 27.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.231 0.539 . . . . 72.25 110.053 177.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.29 -24.4 20.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.71 -0.677 . . . . 73.420000000000002 109.708 175.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 96.0 mt -132.13 90.33 2.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.448 -0.796 . . . . 51.420000000000002 110.312 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -62.03 113.03 2.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.917 -0.583 . . . . 72.340000000000003 110.208 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -98.58 99.61 10.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.306 -0.407 . . . . 74.0 110.146 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -110.66 159.12 17.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.148 -0.478 . . . . 45.520000000000003 109.855 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -150.54 -169.95 3.52 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.525 -0.546 . . . . 62.329999999999998 109.525 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -49.8 107.8 0.17 Allowed 'General case' 0 C--N 1.332 -0.172 0 O-C-N 123.541 0.526 . . . . 74.109999999999999 110.101 174.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -121.76 -12.31 8.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.424 0.63 . . . . 64.310000000000002 109.335 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 32.6 t60 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.167 -0.92 . . . . 72.340000000000003 109.298 176.352 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.725 0.298 . . . . 73.030000000000001 110.277 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.82 108.01 14.83 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.251 -0.431 . . . . 71.409999999999997 110.847 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 89.4 mtp -118.58 78.57 1.28 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.495 -0.557 . . . . 74.340000000000003 109.495 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -122.42 100.1 6.76 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.729 -0.669 . . . . 63.200000000000003 110.819 -175.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -114.86 101.97 9.54 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.046 -0.525 . . . . 73.140000000000001 109.858 177.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.5 t -116.56 125.85 73.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.824 -0.626 . . . . 74.349999999999994 110.222 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -145.49 145.82 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.926 -0.398 . . . . 72.310000000000002 109.926 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -140.55 116.8 10.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.66 0.267 . . . . 72.239999999999995 110.733 -177.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -145.31 118.14 8.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.23 -0.441 . . . . 72.519999999999996 110.291 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.3 t -149.08 94.34 2.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.709 0.29 . . . . 61.149999999999999 110.514 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.3 p -171.94 100.94 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.549 . . . . 70.430000000000007 110.622 178.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.8 m -158.21 114.76 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.51 -0.314 . . . . 73.219999999999999 110.59 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -166.59 149.25 6.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 65.439999999999998 110.4 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.54 46.24 0.63 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.462 -0.875 . . . . 53.420000000000002 112.587 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.0 t -125.23 97.1 5.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.976 0.417 . . . . 73.239999999999995 110.124 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -143.39 25.66 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.802 -0.636 . . . . 75.420000000000002 110.793 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 pp -103.98 8.41 9.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.098 -0.501 . . . . 63.399999999999999 111.384 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -88.2 116.52 26.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.931 -0.577 . . . . 65.109999999999999 110.72 -177.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.531 ' HB ' HD22 ' A' ' 95' ' ' LEU . 46.0 mm -89.8 -25.82 5.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.667 -0.697 . . . . 74.430000000000007 109.544 176.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.95 45.16 6.8 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.591 -0.731 . . . . 50.350000000000001 111.525 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.3 m -139.11 121.59 16.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.631 0.253 . . . . 53.219999999999999 110.674 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.8 p -153.32 137.79 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.226 -0.443 . . . . 31.41 109.844 177.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 23' ' ' ILE . 3.5 mp -94.88 -98.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.955 -0.387 . . . . 44.030000000000001 109.955 -178.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -150.75 -96.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.531 -0.544 . . . . 53.409999999999997 109.531 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -141.01 129.44 22.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.138 -0.483 . . . . 62.32 110.691 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.412 ' CG ' ' H ' ' A' ' 27' ' ' ASN . 16.1 t70 -116.17 -163.47 0.9 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.304 -1.369 . . . . 73.409999999999997 107.304 173.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.412 ' H ' ' CG ' ' A' ' 26' ' ' ASP . 4.1 p-10 -96.5 -48.93 5.35 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.066 -0.716 . . . . 73.319999999999993 109.066 174.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.6 p 163.22 15.94 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 O-C-N 124.37 1.044 . . . . 63.329999999999998 109.952 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 31.1 m -115.96 123.16 47.34 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 120.94 0.4 . . . . 64.030000000000001 111.116 -173.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.751 ' HB2' ' HG3' ' A' ' 90' ' ' MET . 28.3 t -97.22 121.79 39.51 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.307 -0.627 . . . . 75.319999999999993 109.307 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -109.2 151.71 26.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.954 0.407 . . . . 74.230000000000004 110.028 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -161.75 123.45 2.83 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.413 -0.812 . . . . 74.230000000000004 110.108 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.636 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 4.4 m -133.41 107.09 7.86 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.708 -0.478 . . . . 74.510000000000005 109.708 175.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -113.98 142.55 46.02 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.051 -0.351 . . . . 64.530000000000001 110.051 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.462 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 81.3 m-85 -90.18 132.87 35.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.282 -0.417 . . . . 73.430000000000007 110.048 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.487 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 97.4 m-85 -119.39 158.02 27.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.217 -0.447 . . . . 53.43 110.633 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.12 99.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 74.420000000000002 111.041 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.414 ' OG1' ' HG2' ' A' ' 41' ' ' GLU . 39.2 p -133.69 160.65 36.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.623 -0.262 . . . . 74.019999999999996 110.44 178.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.772 ' HA ' HG21 ' A' ' 76' ' ' VAL . 21.0 ttt180 -61.95 -30.13 70.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.889 0.376 . . . . 75.239999999999995 110.237 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -55.55 -49.84 71.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.775 -0.648 . . . . 54.100000000000001 110.354 175.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 12.2 mm-40 -56.55 -32.56 65.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.996 -1.002 . . . . 61.329999999999998 110.976 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.15 -52.15 10.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.559 -0.746 . . . . 71.010000000000005 110.957 -178.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 1.033 ' HG2' HD13 ' A' ' 69' ' ' ILE . 51.4 mt-10 -64.01 -34.16 77.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 74.439999999999998 110.769 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.0 t -65.47 -29.27 69.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.938 -0.574 . . . . 73.010000000000005 110.953 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.51 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 56.2 t80 -76.1 -42.88 45.8 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.43 -0.35 . . . . 73.0 110.226 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.3 tpp -63.11 -24.26 67.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 72.209999999999994 111.292 -178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.505 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 31.3 m -53.96 -50.33 66.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.339 -0.392 . . . . 62.549999999999997 111.463 178.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 17.0 ptmt -74.07 -27.79 61.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.351 -0.386 . . . . 75.010000000000005 111.353 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.439 HD12 ' HZ ' ' A' ' 93' ' ' PHE . 4.4 mm? -63.61 -30.25 71.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.732 0.301 . . . . 70.099999999999994 110.453 176.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 47' ' ' THR . 5.2 mptp? -56.39 -40.54 74.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 71.340000000000003 110.719 174.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -75.25 -51.13 14.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.968 -0.56 . . . . 74.400000000000006 110.783 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.0 mt -57.87 -42.72 85.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.349 -0.841 . . . . 73.019999999999996 112.161 -174.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.19 85.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.747 0.308 . . . . 54.450000000000003 111.64 -178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.573 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . . . -76.08 -30.25 58.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.312 -0.403 . . . . 72.310000000000002 111.452 -177.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.02 -33.91 38.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.876 0.37 . . . . 43.219999999999999 111.357 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.7 -42.31 22.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.05 -0.523 . . . . 63.109999999999999 111.437 -178.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -86.3 127.76 34.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.052 0.453 . . . . 51.530000000000001 111.064 -175.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 m -77.96 12.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.681 -0.691 . . . . 65.129999999999995 111.826 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 60' ' ' ASP . . . -89.4 19.31 4.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.52 -0.309 . . . . 64.099999999999994 111.464 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 59' ' ' ALA . 4.7 m-20 71.17 -69.66 0.18 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.745 -0.661 . . . . 53.039999999999999 112.258 177.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -92.99 31.76 1.37 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.871 -0.604 . . . . 74.450000000000003 111.09 -171.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.573 ' HA2' ' HA ' ' A' ' 54' ' ' ALA . . . 85.61 -133.35 11.73 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.744 -0.741 . . . . 43.420000000000002 111.856 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.62 171.3 14.57 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.151 -0.314 . . . . 72.129999999999995 110.151 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.542 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 73.8 m -75.31 99.18 4.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.575 -0.284 . . . . 54.100000000000001 110.494 178.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 6.0 p -111.11 116.15 51.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.602 0.715 . . . . 55.530000000000001 111.411 -178.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.57 97.27 9.26 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.238 -1.023 . . . . 73.549999999999997 108.238 171.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -121.17 155.34 34.74 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.015 0.436 . . . . 73.239999999999995 110.93 -173.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.609 ' HG2' ' HB3' ' A' ' 79' ' ' ASP . 10.2 ptpp? -147.77 156.98 43.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.95 -0.568 . . . . 73.340000000000003 110.205 178.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 1.033 HD13 ' HG2' ' A' ' 43' ' ' GLU . 23.2 mt -121.68 104.92 15.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 N-CA-C 108.231 -1.025 . . . . 70.239999999999995 108.231 177.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.717 ' HB3' ' HG2' ' A' ' 77' ' ' GLU . 83.8 tttt -107.71 121.93 45.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.253 0.549 . . . . 72.239999999999995 111.23 -168.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.77 ' HA ' HG12 ' A' ' 76' ' ' VAL . 5.5 m-20 -77.83 127.35 32.26 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.994 -1.003 . . . . 63.200000000000003 110.423 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.5 mt -122.09 -177.88 3.71 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.02 -0.363 . . . . 73.030000000000001 110.02 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -86.86 102.7 14.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.87 0.367 . . . . 73.540000000000006 110.571 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.09 -3.95 73.87 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.941 -0.647 . . . . 63.009999999999998 112.219 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -164.5 177.91 7.79 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.937 -0.394 . . . . 74.409999999999997 109.937 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.772 HG21 ' HA ' ' A' ' 39' ' ' ARG . 27.4 m -140.58 153.78 21.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.302 -0.629 . . . . 71.049999999999997 109.302 174.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.717 ' HG2' ' HB3' ' A' ' 70' ' ' LYS . 13.0 pt-20 -109.12 126.7 53.48 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.609 0.719 . . . . 74.019999999999996 110.011 176.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.636 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -97.65 110.56 23.1 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.383 -0.969 . . . . 75.239999999999995 108.383 174.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.609 ' HB3' ' HG2' ' A' ' 68' ' ' LYS . 9.6 t70 -107.56 126.58 52.72 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.474 -0.785 . . . . 72.209999999999994 110.247 -175.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -139.12 135.71 34.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.385 -0.37 . . . . 65.219999999999999 110.751 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.583 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -134.11 100.64 4.77 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.237 -0.438 . . . . 73.329999999999998 109.902 175.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 29' ' ' THR . 82.0 m-85 -93.47 112.65 24.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.118 -0.492 . . . . 71.010000000000005 110.345 -177.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.542 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 63.9 m -94.76 108.91 20.92 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.637 -0.505 . . . . 74.319999999999993 109.637 175.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -89.86 168.52 11.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.842 -0.617 . . . . 71.540000000000006 110.52 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.3 p -76.56 -23.23 53.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.182 0.515 . . . . 74.409999999999997 110.711 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.512 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 63.9 m -140.51 154.2 46.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.848 -0.614 . . . . 65.209999999999994 110.088 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.401 ' O ' HG12 ' A' ' 91' ' ' ILE . 31.8 tt0 -69.01 -33.09 73.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.561 -0.291 . . . . 71.030000000000001 110.75 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.5 -40.08 74.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.284 -0.416 . . . . 64.109999999999999 110.808 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 6.0 mm-40 -62.71 -32.77 73.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.09 -0.505 . . . . 61.229999999999997 110.318 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.751 ' HG3' ' HB2' ' A' ' 30' ' ' SER . 59.1 ttp -69.28 -51.95 32.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.879 -0.6 . . . . 72.219999999999999 110.915 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.602 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.8 pt -68.21 -39.81 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 116.197 -0.456 . . . . 65.329999999999998 112.201 -176.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 pp -64.53 -30.59 50.64 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 C-N-CA 120.326 -0.55 . . . . 73.230000000000004 110.456 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.657 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 74.8 t80 -65.56 -51.49 59.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.65 -0.705 . . . . 71.439999999999998 110.573 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.22 -28.36 63.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 70.5 111.731 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 72.4 mt -63.24 -51.23 67.07 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.152 -0.314 . . . . 51.530000000000001 110.152 175.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.6 m -58.42 -40.99 84.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 65.049999999999997 111.404 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.9 mt -56.97 -49.51 75.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.935 0.398 . . . . 62.530000000000001 110.554 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -70.68 -31.25 68.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.009 -0.541 . . . . 74.340000000000003 111.048 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -66.38 -30.34 70.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 73.239999999999995 110.502 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.0 tt -86.29 -49.57 7.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.105 -0.498 . . . . 61.119999999999997 110.481 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.27 28.51 0.62 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.679 -0.691 . . . . 53.130000000000003 111.548 -176.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 37.6 mt -56.49 -70.98 0.1 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.585 -0.28 . . . . 55.329999999999998 111.324 177.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.6 -64.59 0.12 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.501 -0.772 . . . . 71.540000000000006 111.334 -174.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -110.6 98.82 7.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.306 0.574 . . . . 73.510000000000005 110.069 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -74.09 86.98 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.636 0.732 . . . . 75.349999999999994 110.131 178.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -133.51 104.77 6.55 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.605 -0.725 . . . . 73.209999999999994 110.703 -172.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.6 m170 -108.43 67.7 0.67 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.234 -0.654 . . . . 62.43 109.234 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 30.1 m80 66.61 170.0 0.24 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.262 -0.881 . . . . 62.409999999999997 111.058 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 18.5 t60 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.505 -0.76 . . . . 71.239999999999995 110.157 -177.144 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.832 0.349 . . . . 72.219999999999999 110.124 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.91 163.71 12.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.249 0.547 . . . . 71.420000000000002 111.504 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -146.99 139.77 25.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.225 -0.898 . . . . 75.430000000000007 108.893 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -129.09 111.69 13.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.953 0.406 . . . . 65.209999999999994 111.223 -175.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -106.22 70.38 0.84 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.627 0.727 . . . . 71.409999999999997 109.775 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.2 t -126.22 96.64 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.202 -0.908 . . . . 71.430000000000007 109.857 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.8 t -143.6 105.3 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.038 -0.528 . . . . 43.200000000000003 111.532 -176.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -137.53 137.34 38.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.04 0.447 . . . . 73.409999999999997 110.013 169.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -142.54 111.71 6.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.922 -0.581 . . . . 71.329999999999998 110.081 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.8 p -119.4 43.44 2.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.959 -0.564 . . . . 64.129999999999995 110.584 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 12' ' ' THR . 37.1 m -65.2 87.78 0.07 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.993 -0.549 . . . . 74.319999999999993 111.305 -177.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -168.51 109.94 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.181 -0.918 . . . . 75.239999999999995 109.952 -178.061 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -124.64 177.59 5.88 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.286 -0.264 . . . . 74.219999999999999 110.286 176.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.07 112.59 3.83 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.778 -0.725 . . . . 71.340000000000003 113.176 -173.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 t -89.82 162.4 15.52 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.649 -0.871 . . . . 75.319999999999993 108.649 174.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.639 ' O ' HG12 ' A' ' 17' ' ' ILE . . . -140.12 -163.98 1.62 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.702 0.26 . . . . 64.340000000000003 111.702 -173.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.639 HG12 ' O ' ' A' ' 16' ' ' ALA . 4.0 pt 65.21 140.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.482 1.513 . . . . 62.520000000000003 113.175 177.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -97.95 -55.5 2.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.82 -1.082 . . . . 64.030000000000001 108.704 173.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.5 mm -104.48 -49.16 9.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.596 -0.89 . . . . 63.43 108.596 168.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.636 ' HA3' HD12 ' A' ' 17' ' ' ILE . . . 79.53 -75.09 2.15 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.163 -0.926 . . . . 73.030000000000001 113.911 173.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 t -78.47 128.69 33.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.251 0.548 . . . . 73.450000000000003 111.612 -172.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -173.95 136.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.297 -0.865 . . . . 61.119999999999997 109.589 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.9 mt -128.66 93.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.204 0.526 . . . . 65.109999999999999 110.104 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -144.27 124.9 14.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.938 -0.574 . . . . 73.109999999999999 109.533 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -165.8 126.61 1.83 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.225 0.536 . . . . 42.009999999999998 110.685 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -155.51 -57.45 0.1 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.372 -0.831 . . . . 70.450000000000003 109.145 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -150.54 175.2 12.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.259 -0.882 . . . . 72.439999999999998 109.295 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.3 m -104.4 24.15 12.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.877 0.37 . . . . 72.010000000000005 111.424 -174.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.1 m -116.44 110.45 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.349 -0.387 . . . . 72.349999999999994 110.362 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.522 ' HB2' ' SD ' ' A' ' 90' ' ' MET . 32.2 t -98.41 116.96 31.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.947 0.404 . . . . 65.140000000000001 110.552 -178.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -103.61 112.84 25.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.96 -0.564 . . . . 61.009999999999998 109.695 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -124.65 119.13 28.13 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.964 -0.562 . . . . 73.230000000000004 110.407 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.678 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 3.8 p -128.64 111.0 12.72 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.045 0.45 . . . . 74.040000000000006 110.979 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -119.38 151.32 38.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 73.409999999999997 110.373 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.495 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 81.6 m-85 -84.44 137.09 33.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.145 -0.479 . . . . 65.439999999999998 110.597 176.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -127.73 163.28 24.67 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.656 -0.702 . . . . 75.510000000000005 109.58 176.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.75 -56.97 14.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.4 0.437 . . . . 61.310000000000002 110.877 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.9 p -123.67 160.37 27.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.468 -0.333 . . . . 73.519999999999996 110.985 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.606 ' HG3' HG21 ' A' ' 69' ' ' ILE . 41.4 ttt180 -59.91 -31.7 70.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.205 0.526 . . . . 74.230000000000004 110.106 175.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.08 -50.62 73.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.545 -0.752 . . . . 72.129999999999995 110.605 176.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -54.28 -34.76 61.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.734 -0.666 . . . . 72.319999999999993 110.896 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.491 ' HB1' ' HB2' ' A' ' 78' ' ' LEU . . . -69.42 -52.89 22.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.707 -0.678 . . . . 74.109999999999999 110.985 -177.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.95 -31.82 72.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.372 -0.377 . . . . 62.399999999999999 111.198 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.7 m -67.87 -28.76 67.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 72.209999999999994 110.985 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.471 ' O ' HD23 ' A' ' 49' ' ' LEU . 86.1 t80 -72.6 -35.05 67.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.073 0.463 . . . . 65.140000000000001 109.789 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.591 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 35.9 tpp -63.43 -40.13 96.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.688 -0.687 . . . . 75.129999999999995 111.472 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.2 m -52.53 -50.79 62.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.446 0.536 . . . . 44.200000000000003 112.446 -173.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -71.48 -28.53 63.99 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.061 -0.256 . . . . 71.129999999999995 111.183 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.1 mm? -70.93 -36.16 72.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.587 -0.279 . . . . 71.299999999999997 111.03 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 46' ' ' MET . 41.1 mtpt -55.87 -48.74 75.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.926 0.393 . . . . 75.329999999999998 110.554 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.85 -41.52 82.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.553 -0.749 . . . . 72.129999999999995 110.722 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.5 mt -68.67 -43.17 76.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.693 -0.685 . . . . 74.040000000000006 110.751 -178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.22 97.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.42 -0.355 . . . . 62.310000000000002 111.18 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.423 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . . . -62.06 -35.54 78.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 74.439999999999998 111.427 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.41 -29.75 24.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.441 -0.345 . . . . 72.319999999999993 111.332 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.43 -37.23 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.398 -0.365 . . . . 74.030000000000001 110.829 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.429 ' HB2' ' CD2' ' A' ' 84' ' ' PHE . 34.4 t -86.02 115.34 23.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.234 -0.439 . . . . 73.299999999999997 110.433 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.5 m -79.76 19.97 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.087 0.47 . . . . 71.299999999999997 111.395 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.24 11.68 9.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.026 -0.534 . . . . 42.420000000000002 111.643 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 73.38 -54.73 0.69 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.554 0.742 . . . . 73.230000000000004 111.461 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -90.41 29.12 1.32 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.019 -0.537 . . . . 73.010000000000005 110.698 -175.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 54' ' ' ALA . . . 66.02 -133.06 34.04 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.991 -0.624 . . . . 53.439999999999998 112.067 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.52 178.24 7.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.852 0.358 . . . . 62.450000000000003 110.869 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.871 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 14.6 m -88.94 122.31 32.18 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.322 -0.622 . . . . 51.020000000000003 109.322 176.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.4 p -133.22 116.42 25.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.453 0.644 . . . . 74.219999999999999 111.214 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.34 122.71 38.45 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.578 -0.737 . . . . 63.439999999999998 109.517 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.51 ' HE2' HD11 ' A' ' 69' ' ' ILE . 18.0 p90 -120.59 135.98 54.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.256 0.551 . . . . 74.349999999999994 111.056 -177.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.47 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 36.2 mtmt -113.86 165.51 12.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.501 -0.772 . . . . 72.120000000000005 109.764 174.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.606 HG21 ' HG3' ' A' ' 39' ' ' ARG . 45.4 mt -137.21 111.44 9.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 115.518 -0.764 . . . . 35.130000000000003 110.427 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -105.94 99.31 8.91 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.891 0.853 . . . . 73.439999999999998 109.488 175.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.786 ' HA ' HG12 ' A' ' 76' ' ' VAL . 5.7 p-10 -75.5 107.88 7.93 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.939 -1.482 . . . . 64.319999999999993 109.434 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.0 mt -97.88 -169.99 1.91 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.271 -0.422 . . . . 73.150000000000006 110.398 -174.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -75.96 102.4 5.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.841 -0.618 . . . . 72.010000000000005 109.375 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.9 -62.11 1.92 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.971 -0.633 . . . . 63.149999999999999 112.312 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -105.71 171.52 7.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.581 0.229 . . . . 71.219999999999999 110.695 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.786 HG12 ' HA ' ' A' ' 71' ' ' ASP . 32.9 m -130.87 154.5 40.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.626 -0.261 . . . . 71.400000000000006 110.534 177.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -109.8 115.7 30.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.776 0.322 . . . . 44.219999999999999 110.368 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.678 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.4 tm? -91.44 114.18 26.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.706 -0.85 . . . . 53.140000000000001 108.706 176.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.475 ' O ' ' HA ' ' A' ' 67' ' ' TYR . 21.4 t70 -109.33 114.6 28.42 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.078 -0.51 . . . . 75.219999999999999 110.564 -176.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.52 133.11 56.4 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.322 -0.399 . . . . 53.32 111.542 -176.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.65 107.56 15.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.781 -0.645 . . . . 70.239999999999995 110.23 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -102.34 113.29 26.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.895 -0.593 . . . . 72.150000000000006 110.577 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.871 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 28.5 m -108.19 106.2 16.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.999 0.428 . . . . 73.310000000000002 110.308 177.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.429 ' CD2' ' HB2' ' A' ' 57' ' ' SER . 45.5 m-85 -91.84 154.12 19.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.818 -0.628 . . . . 74.430000000000007 110.122 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 m -75.49 -31.97 60.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.959 0.409 . . . . 52.140000000000001 111.087 -177.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.85 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 33.3 m -124.29 144.76 49.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.041 -0.527 . . . . 73.409999999999997 109.963 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -66.66 -32.43 73.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.359 . . . . 74.200000000000003 111.218 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.32 -37.77 75.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.29 -0.414 . . . . 74.140000000000001 110.484 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.85 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 4.2 mm-40 -67.37 -31.02 70.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.672 -0.694 . . . . 72.230000000000004 110.447 -178.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.522 ' SD ' ' HB2' ' A' ' 30' ' ' SER . 49.2 tpp -65.35 -54.16 33.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.025 0.441 . . . . 70.239999999999995 110.96 -179.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.595 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.3 pt -67.08 -39.14 82.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.164 -0.471 . . . . 45.409999999999997 112.078 -176.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 pp -69.18 -29.76 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.468 -0.493 . . . . 71.129999999999995 110.551 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.586 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 50.2 t80 -62.94 -52.23 63.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.957 -0.565 . . . . 74.409999999999997 110.554 176.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.55 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 3.5 pt-20 -69.55 -31.27 69.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.601 -0.272 . . . . 75.140000000000001 111.317 -177.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 73.2 mt -61.34 -44.83 96.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.919 0.39 . . . . 71.420000000000002 110.32 176.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.0 m -66.22 -22.99 66.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.043 -0.526 . . . . 64.409999999999997 110.691 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 79.6 mt -77.83 -30.65 51.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 110.781 177.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.573 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 54.7 mtt180 -62.54 -50.94 69.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.187 -0.461 . . . . 74.019999999999996 111.436 -174.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.2 p -69.54 -28.27 65.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.112 0.482 . . . . 75.409999999999997 110.894 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.7 tt -68.39 -45.43 72.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.71 -0.677 . . . . 74.120000000000005 110.066 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.32 13.51 2.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.682 -0.69 . . . . 53.530000000000001 111.863 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 98' ' ' ARG . 57.6 mt -83.97 -17.18 41.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.902 0.382 . . . . 72.219999999999999 110.928 176.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 104' ' ' HIS . 37.7 mt-10 -84.81 66.2 9.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 72.310000000000002 112.065 -174.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 103' ' ' GLU . 7.0 p80 175.77 134.07 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.983 -0.553 . . . . 72.040000000000006 109.667 173.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -67.86 145.65 54.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.728 0.299 . . . . 71.230000000000004 110.532 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -145.3 139.95 27.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.492 -0.322 . . . . 71.120000000000005 110.876 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -177.09 118.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.821 -0.627 . . . . 75.129999999999995 109.513 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -161.79 114.51 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.738 -0.467 . . . . 75.319999999999993 109.738 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.332 -0.842 . . . . 62.149999999999999 110.024 -176.426 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.8 tpp . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.953 0.406 . . . . 73.450000000000003 110.092 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.4 103.94 7.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.982 -0.553 . . . . 62.340000000000003 110.26 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.96 -14.21 6.15 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.004 -0.543 . . . . 73.510000000000005 110.805 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -119.65 95.28 4.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.327 0.584 . . . . 74.319999999999993 112.006 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -130.43 91.82 3.16 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.856 -0.794 . . . . 54.329999999999998 108.856 168.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.2 p -115.66 130.12 70.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.247 0.546 . . . . 65.340000000000003 110.897 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.2 p -145.08 126.95 9.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.836 -0.62 . . . . 60.140000000000001 110.236 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -136.2 136.89 40.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.837 -0.619 . . . . 54.340000000000003 109.589 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -97.0 90.4 5.17 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.392 0.615 . . . . 63.030000000000001 110.607 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.5 t -125.81 80.15 1.88 Allowed 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.375 -0.972 . . . . 74.530000000000001 108.375 173.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.0 m -127.92 161.29 29.44 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.709 -0.678 . . . . 71.519999999999996 111.238 -173.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.7 m 61.61 79.12 0.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.333 -0.848 . . . . 75.109999999999999 111.967 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -105.51 89.82 3.22 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.447 -0.945 . . . . 60.5 108.447 171.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.36 -113.9 6.31 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 111.06 -0.816 . . . . 73.25 111.06 -171.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.5 m -145.29 -35.08 0.32 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.997 0.427 . . . . 63.420000000000002 110.079 174.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.98 86.85 6.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.152 0.501 . . . . 64.299999999999997 110.926 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.7 tt -129.28 125.44 62.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.836 -0.62 . . . . 73.209999999999994 109.792 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.9 t70 70.21 134.14 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.415 -0.811 . . . . 74.439999999999998 111.622 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.469 HG21 ' HD3' ' A' ' 98' ' ' ARG . 50.8 mm -94.48 -24.37 4.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.824 -0.626 . . . . 73.299999999999997 110.439 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.47 15.51 56.86 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.508 -0.853 . . . . 73.439999999999998 111.822 -175.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.419 HG22 HG13 ' A' ' 23' ' ' ILE . 23.5 m -94.81 116.86 29.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.9 -0.407 . . . . 61.329999999999998 109.9 178.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 m -82.41 88.16 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.72 0.772 . . . . 74.200000000000003 111.751 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.419 HG13 HG22 ' A' ' 21' ' ' THR . 65.4 mt -114.04 125.61 71.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.295 -0.866 . . . . 72.430000000000007 109.154 172.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -104.87 -159.76 0.73 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.956 -0.387 . . . . 71.310000000000002 109.956 -174.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -78.27 106.59 10.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.386 0.612 . . . . 71.129999999999995 111.33 -177.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -114.48 -71.22 0.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.253 -0.885 . . . . 74.530000000000001 108.71 174.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -162.84 165.92 24.72 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.717 -1.216 . . . . 63.049999999999997 107.717 172.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.4 p -78.21 45.34 0.54 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.414 0.524 . . . . 70.219999999999999 112.414 -173.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 89.9 m -132.86 123.89 26.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.349 -0.387 . . . . 61.530000000000001 110.011 177.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.417 ' HB2' ' HG3' ' A' ' 90' ' ' MET . 11.6 t -97.31 135.54 39.08 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.429 -0.582 . . . . 73.299999999999997 109.429 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.447 ' NZ ' ' HB2' ' A' ' 81' ' ' ALA . 29.9 mmmt -112.51 143.61 43.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.108 -0.496 . . . . 63.420000000000002 111.352 -173.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -136.2 118.81 15.97 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.936 -0.764 . . . . 73.450000000000003 108.936 169.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 9.9 m -133.47 118.19 18.06 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.852 -0.425 . . . . 64.219999999999999 109.852 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -148.94 149.9 31.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.985 0.421 . . . . 71.099999999999994 111.275 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 4.6 m-85 -85.99 118.69 25.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.738 -0.665 . . . . 71.120000000000005 109.213 175.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 66.7 m-85 -104.72 155.88 18.49 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.203 -0.295 . . . . 73.120000000000005 110.203 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.99 -47.02 86.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.982 0.42 . . . . 74.129999999999995 111.515 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.83 161.61 34.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.226 -0.443 . . . . 44.109999999999999 110.251 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HA ' HG21 ' A' ' 76' ' ' VAL . 22.0 ttt180 -58.28 -33.06 69.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 65.5 110.918 177.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.27 -48.74 80.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.008 -0.542 . . . . 75.150000000000006 110.789 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 38.2 mm-40 -52.85 -34.07 52.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.566 -0.743 . . . . 72.230000000000004 110.49 176.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.611 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -76.11 -52.92 9.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.198 -0.91 . . . . 65.340000000000003 111.264 -178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.724 ' HG2' HD13 ' A' ' 69' ' ' ILE . 27.4 mt-10 -66.49 -31.94 72.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.376 -0.375 . . . . 64.329999999999998 111.646 -176.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.2 m -63.84 -35.2 79.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.728 0.299 . . . . 73.530000000000001 110.347 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.493 ' O ' HD23 ' A' ' 49' ' ' LEU . 32.2 t80 -76.51 -37.07 57.31 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.451 -0.574 . . . . 74.129999999999995 109.451 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.423 ' CE ' ' HA ' ' A' ' 46' ' ' MET . 1.7 tpt -61.81 -37.46 84.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.719 -0.673 . . . . 51.399999999999999 110.859 177.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.714 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 41.1 m -63.16 -51.39 66.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 74.040000000000006 111.579 -177.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -67.14 -28.86 68.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 73.409999999999997 111.021 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 45' ' ' PHE . 2.0 mm? -63.89 -34.62 78.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.412 -0.358 . . . . 74.200000000000003 110.873 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.714 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 32.0 mttt -60.96 -44.65 97.0 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.057 0.456 . . . . 71.219999999999999 110.47 176.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -65.92 -42.81 89.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.584 -0.734 . . . . 71.340000000000003 110.603 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.404 HD13 HD23 ' A' ' 97' ' ' LEU . 96.0 mt -65.74 -31.72 72.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.823 -0.626 . . . . 75.340000000000003 111.35 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.98 -34.69 78.56 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.262 0.553 . . . . 75.239999999999995 110.542 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.84 -30.52 66.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.768 -0.651 . . . . 32.520000000000003 110.646 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.93 -31.28 50.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.468 -0.333 . . . . 43.109999999999999 110.972 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.63 -53.33 6.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.386 -0.37 . . . . 63.030000000000001 111.86 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.9 m -114.82 -31.11 6.23 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.976 0.361 . . . . 54.549999999999997 111.976 -175.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.1 m 70.16 -71.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.541 -0.754 . . . . 64.329999999999998 109.794 -175.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 50.16 17.3 0.31 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.471 0.915 . . . . 63.240000000000002 113.471 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 66.86 -62.32 0.3 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.416 0.687 . . . . 70.299999999999997 111.816 -176.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -85.76 -24.69 26.77 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.056 0.455 . . . . 64.450000000000003 110.494 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.03 172.95 16.99 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.884 -0.674 . . . . 60.140000000000001 111.868 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.96 152.76 36.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.597 0.237 . . . . 65.340000000000003 110.421 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.623 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 69.5 m -70.27 103.22 2.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.24 -0.436 . . . . 64.239999999999995 110.789 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.1 p -100.43 120.33 49.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.494 0.664 . . . . 74.019999999999996 111.251 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . . . -105.28 99.76 9.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.179 -0.919 . . . . 72.010000000000005 108.714 172.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -111.23 150.62 29.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.043 0.449 . . . . 64.450000000000003 111.77 -172.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.477 ' HB2' ' HB3' ' A' ' 79' ' ' ASP . 91.2 mttt -134.4 138.37 44.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.423 -0.808 . . . . 65.319999999999993 110.233 169.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.724 HD13 ' HG2' ' A' ' 43' ' ' GLU . 59.1 mt -128.7 103.42 9.59 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 114.417 -1.265 . . . . 75.349999999999994 108.34 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.564 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 81.4 tttt -111.08 119.06 37.75 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.038 -0.528 . . . . 74.150000000000006 111.25 -171.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.644 ' HA ' HG12 ' A' ' 76' ' ' VAL . 7.5 m-20 -82.12 108.44 15.6 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.003 -0.999 . . . . 72.430000000000007 110.229 -178.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.0 mt -104.63 -179.85 4.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.937 0.399 . . . . 61.240000000000002 109.967 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -88.67 103.84 16.31 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.065 0.459 . . . . 73.319999999999993 110.32 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.25 -5.93 65.77 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 115.728 -0.669 . . . . 72.129999999999995 112.632 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -167.05 178.72 5.56 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.756 -0.461 . . . . 65.439999999999998 109.756 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 71' ' ' ASP . 27.1 m -138.74 157.25 29.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.814 0.34 . . . . 54.210000000000001 110.661 176.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.564 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 6.0 tp10 -102.6 114.53 28.83 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.809 -0.632 . . . . 71.329999999999998 109.379 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.611 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.2 tm? -102.11 114.48 28.64 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.691 -0.855 . . . . 71.310000000000002 108.691 176.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.477 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 26.9 t70 -122.43 111.52 16.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.052 -0.522 . . . . 63.240000000000002 110.706 -176.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.62 140.75 47.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.827 -0.624 . . . . 52.409999999999997 111.037 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . . . -140.29 106.91 5.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.828 -0.624 . . . . 54.509999999999998 110.149 177.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 29' ' ' THR . 78.9 m-85 -104.04 112.56 25.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.911 0.386 . . . . 72.239999999999995 110.792 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.623 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 96.8 m -91.97 122.17 34.24 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.888 -0.596 . . . . 73.519999999999996 109.861 176.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.443 ' HZ ' ' CD2' ' A' ' 93' ' ' PHE . 64.1 m-85 -107.47 -174.25 2.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.683 -0.69 . . . . 71.129999999999995 109.825 -177.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.2 m -69.87 -44.85 68.96 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.139 0.495 . . . . 44.119999999999997 110.225 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 34.8 t -148.78 179.47 7.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.428 -0.582 . . . . 55.210000000000001 109.428 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.563 ' O ' HG12 ' A' ' 91' ' ' ILE . 32.0 tt0 -75.03 -17.09 60.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.641 0.258 . . . . 72.510000000000005 111.238 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.88 -50.5 73.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.905 0.384 . . . . 63.020000000000003 110.637 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' HG3' ' HB3' ' A' ' 84' ' ' PHE . 2.1 pm0 -74.74 -26.0 59.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.209 -0.451 . . . . 72.200000000000003 111.045 176.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.54 ' HB3' ' HA ' ' A' ' 87' ' ' GLN . 19.3 ttt -60.69 -56.87 16.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.193 -0.458 . . . . 70.219999999999999 111.43 177.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.708 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 17.9 pt -63.27 -44.84 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 112.086 0.402 . . . . 65.230000000000004 112.086 -174.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.513 ' HA ' HD12 ' A' ' 95' ' ' LEU . 2.8 pp -64.79 -29.72 48.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.753 0.311 . . . . 60.399999999999999 111.179 -177.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.589 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 69.2 t80 -64.7 -51.57 61.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.046 -0.524 . . . . 72.430000000000007 110.825 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.402 ' HA ' HD12 ' A' ' 97' ' ' LEU . 6.2 pt-20 -72.9 -27.54 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 73.109999999999999 111.701 -177.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 97.6 mt -56.65 -50.5 71.87 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.213 0.53 . . . . 72.430000000000007 109.594 173.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 100' ' ' LEU . 62.1 m -62.72 -40.67 97.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.487 -0.779 . . . . 64.140000000000001 111.47 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.3 mt -53.24 -48.46 68.19 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.996 0.427 . . . . 73.120000000000005 111.233 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.469 ' HD3' HG21 ' A' ' 19' ' ' ILE . 56.3 mtt180 -77.23 -38.28 51.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.53 -0.759 . . . . 73.409999999999997 111.788 -171.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 61.6 m -74.68 -22.0 59.11 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.905 0.383 . . . . 63.409999999999997 111.62 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 96' ' ' SER . 13.5 tp -83.75 -46.93 11.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.94 0.4 . . . . 74.329999999999998 111.153 -176.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.1 -43.86 32.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.892 -0.594 . . . . 63.219999999999999 110.604 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 60.7 mt 46.31 35.37 2.68 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.533 -0.758 . . . . 52.32 112.036 -175.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.64 ' HG2' ' H ' ' A' ' 104' ' ' HIS . 18.1 tt0 -93.22 177.89 5.91 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.515 -0.55 . . . . 74.409999999999997 109.515 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.64 ' H ' ' HG2' ' A' ' 103' ' ' GLU . 35.5 m80 -74.08 122.64 23.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.233 0.539 . . . . 64.120000000000005 111.417 -176.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -82.22 81.34 8.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.681 -0.691 . . . . 74.209999999999994 110.029 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.62 107.74 19.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.898 -0.592 . . . . 71.150000000000006 110.495 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -178.1 -27.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.833 -0.621 . . . . 74.340000000000003 110.107 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 65.94 14.21 9.46 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.443 -0.799 . . . . 44.200000000000003 111.281 178.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.463 -0.78 . . . . 54.200000000000003 109.302 179.152 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.405 0.145 . . . . 74.519999999999996 110.804 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 47.59 61.26 3.02 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 124.108 0.88 . . . . 74.519999999999996 112.489 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 56.4 ttp -143.4 90.18 2.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.131 0.491 . . . . 61.0 110.338 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -119.78 84.24 2.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.501 -0.772 . . . . 72.25 109.811 176.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -122.49 100.26 6.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.025 -0.534 . . . . 75.430000000000007 110.157 -177.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.8 t -84.13 121.57 36.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.84 -0.618 . . . . 71.409999999999997 110.582 -178.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.84 136.2 59.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.878 0.371 . . . . 71.420000000000002 110.515 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -161.15 133.38 5.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.114 -0.493 . . . . 74.109999999999999 110.242 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.96 161.83 20.92 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.827 -0.624 . . . . 65.200000000000003 111.602 -174.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.5 p -124.7 94.57 4.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.725 -0.671 . . . . 72.230000000000004 109.977 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t -158.44 92.31 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.034 -0.53 . . . . 75.010000000000005 110.36 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.653 HG23 ' HG3' ' A' ' 13' ' ' LYS . 14.5 t -155.48 -16.38 0.11 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.055 -0.52 . . . . 43.039999999999999 110.34 176.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.653 ' HG3' HG23 ' A' ' 12' ' ' THR . 48.0 mtpt -115.71 138.69 50.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.866 -0.606 . . . . 61.420000000000002 109.903 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.55 91.01 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 119.962 -1.113 . . . . 54.299999999999997 113.422 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.7 t 54.72 87.64 0.04 OUTLIER 'General case' 0 C--O 1.234 0.249 0 C-N-CA 123.058 0.543 . . . . 64.129999999999995 111.807 175.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.36 -61.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.271 -0.422 . . . . 75.450000000000003 111.251 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.626 HG21 ' HA ' ' A' ' 56' ' ' ALA . 17.3 pt -102.8 76.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.148 0.499 . . . . 75.239999999999995 112.251 -174.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -177.93 104.58 0.05 OUTLIER 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.293 -0.867 . . . . 61.32 109.818 173.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.624 HD12 ' HB3' ' A' ' 95' ' ' LEU . 63.4 mt -90.09 -61.9 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.046 -0.524 . . . . 74.239999999999995 110.874 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.85 32.33 1.02 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.784 -0.722 . . . . 53.240000000000002 111.644 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.1 m -124.66 122.16 36.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.841 0.353 . . . . 74.200000000000003 110.157 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.0 m -87.77 149.29 4.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.688 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.5 tt -158.95 -47.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.25 -0.432 . . . . 75.219999999999999 110.377 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 67.66 107.15 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.851 0.719 . . . . 71.319999999999993 111.715 175.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -79.4 160.42 26.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.633 -0.712 . . . . 52.200000000000003 111.202 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -87.19 -17.39 32.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.435 -0.802 . . . . 65.329999999999998 110.327 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -156.3 168.03 28.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.019 -0.537 . . . . 70.209999999999994 109.717 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.2 m -98.57 13.4 32.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.0 0.429 . . . . 52.210000000000001 111.838 -175.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 m -100.2 123.13 44.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.983 0.421 . . . . 52.240000000000002 109.953 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.624 ' HB3' ' HB2' ' A' ' 82' ' ' PHE . 14.0 t -98.61 105.13 17.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.789 0.328 . . . . 72.530000000000001 110.343 -176.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -101.3 121.86 42.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.975 -0.557 . . . . 54.539999999999999 110.245 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.419 ' CE2' ' HB2' ' A' ' 34' ' ' ARG . 68.0 t80 -124.3 117.55 24.78 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.242 -0.651 . . . . 71.140000000000001 109.242 174.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -125.68 106.72 9.93 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.761 -0.459 . . . . 73.219999999999999 109.761 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.419 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 1.8 tmt_? -132.51 144.63 50.57 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.753 -0.462 . . . . 73.540000000000006 109.753 -174.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.501 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 78.8 m-85 -94.86 130.5 41.43 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.277 -0.419 . . . . 74.340000000000003 109.964 178.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.501 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 80.7 m-85 -120.97 156.75 31.43 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.65 -0.25 . . . . 72.439999999999998 110.794 -178.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.75 -49.27 58.39 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.849 0.718 . . . . 61.409999999999997 112.138 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.4 p -135.26 168.5 19.07 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.601 -0.272 . . . . 72.109999999999999 110.364 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.682 ' HA ' HG21 ' A' ' 76' ' ' VAL . 20.3 ptp180 -66.26 -19.6 65.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.323 0.582 . . . . 75.409999999999997 109.511 177.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -62.61 -49.51 74.92 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.224 -0.898 . . . . 73.040000000000006 110.145 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.501 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 20.5 mm-40 -58.1 -29.66 65.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.856 -1.065 . . . . 71.239999999999995 110.944 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.603 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -68.78 -48.66 63.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.834 -0.621 . . . . 72.340000000000003 110.111 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -63.04 -38.4 91.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.76 -0.655 . . . . 61.210000000000001 110.823 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -60.83 -38.58 85.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.415 -0.357 . . . . 65.420000000000002 111.255 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.515 ' O ' HD23 ' A' ' 49' ' ' LEU . 50.5 t80 -71.89 -39.41 69.59 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.511 -0.551 . . . . 73.310000000000002 109.511 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.451 ' O ' ' HD3' ' A' ' 50' ' ' LYS . 40.3 tpp -67.7 -29.92 69.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.885 -0.598 . . . . 75.349999999999994 111.072 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.9 m -59.81 -48.48 81.5 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 120.696 0.284 . . . . 75.349999999999994 111.335 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -73.14 -27.18 61.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.13 0.491 . . . . 64.430000000000007 110.724 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 45' ' ' PHE . 1.2 mm? -63.26 -34.62 78.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.642 -0.708 . . . . 74.129999999999995 111.059 175.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 46' ' ' MET . 1.8 mptm? -53.76 -49.29 68.54 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.892 0.377 . . . . 72.540000000000006 110.792 176.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -61.04 -47.51 86.07 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.624 -0.716 . . . . 73.430000000000007 110.656 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.677 HD11 HD22 ' A' ' 100' ' ' LEU . 96.7 mt -63.08 -50.09 71.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.32 -0.855 . . . . 75.109999999999999 111.496 -176.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.65 -37.58 76.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 64.299999999999997 111.238 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.75 78.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 73.329999999999998 111.556 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.38 -29.99 23.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.338 -0.392 . . . . 52.200000000000003 111.677 -177.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.626 ' HA ' HG21 ' A' ' 17' ' ' ILE . . . -77.49 -52.13 9.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.186 0.439 . . . . 70.329999999999998 112.186 -175.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.1 t -77.95 141.11 39.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.158 0.504 . . . . 72.349999999999994 111.395 -173.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.6 p -72.87 -11.64 60.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.575 -0.739 . . . . 62.200000000000003 110.472 175.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.96 -13.56 60.53 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.076 -0.511 . . . . 63.409999999999997 109.967 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.2 t70 72.63 -37.63 0.39 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.216 -0.902 . . . . 73.150000000000006 112.503 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -86.13 5.13 35.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.654 0.264 . . . . 75.400000000000006 111.566 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.8 8.95 60.25 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.834 -0.698 . . . . 63.520000000000003 112.97 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.488 ' HB1' ' O ' ' A' ' 83' ' ' THR . . . 64.82 -162.02 0.27 Allowed 'General case' 0 C--O 1.234 0.27 0 C-N-CA 122.665 0.386 . . . . 72.140000000000001 110.864 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.522 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 19.9 m -66.75 108.86 2.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.065 -0.346 . . . . 73.519999999999996 110.065 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -117.36 124.48 73.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.313 0.578 . . . . 61.350000000000001 111.214 -177.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.24 143.34 35.93 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.645 -0.707 . . . . 75.5 109.142 174.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -154.5 152.9 30.64 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.534 -0.466 . . . . 72.109999999999999 110.939 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 47.0 mtmt -131.65 160.14 36.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.759 -0.655 . . . . 74.219999999999999 110.463 175.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.42 HG12 HD23 ' A' ' 78' ' ' LEU . 63.3 mt -132.24 104.52 7.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.928 -1.033 . . . . 75.510000000000005 109.291 176.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -98.8 123.78 43.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.971 0.415 . . . . 75.549999999999997 110.039 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.664 ' HA ' HG12 ' A' ' 76' ' ' VAL . 8.1 p-10 -76.17 131.82 39.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.697 -0.683 . . . . 63.240000000000002 110.74 -177.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.5 mt -126.12 -172.78 2.69 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.468 -0.567 . . . . 55.420000000000002 109.468 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.56 106.34 16.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.057 0.456 . . . . 75.209999999999994 109.917 -179.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.67 -1.61 88.71 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.653 -0.703 . . . . 62.130000000000003 113.007 175.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -163.18 169.92 18.57 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.934 -0.395 . . . . 64.400000000000006 109.934 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.682 HG21 ' HA ' ' A' ' 39' ' ' ARG . 27.7 m -130.89 160.89 41.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.611 -0.268 . . . . 73.140000000000001 110.553 177.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -102.24 114.26 28.26 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.106 -0.497 . . . . 74.430000000000007 110.339 176.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.603 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.2 tm? -95.34 111.42 23.29 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.186 -1.042 . . . . 74.200000000000003 108.186 174.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -118.13 106.1 12.51 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.894 -0.594 . . . . 75.019999999999996 110.005 -175.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.03 134.9 50.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.105 -0.498 . . . . 64.140000000000001 111.394 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.94 110.04 13.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.601 -0.727 . . . . 53.0 110.437 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.624 ' HB2' ' HB3' ' A' ' 30' ' ' SER . 92.5 m-85 -109.92 151.84 26.57 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.755 -0.461 . . . . 75.549999999999997 109.755 176.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.522 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 37.5 m -137.5 103.88 5.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.632 -0.507 . . . . 61.43 109.632 174.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.59 ' HB3' ' HG3' ' A' ' 89' ' ' GLU . 97.7 m-85 -88.88 162.38 16.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.804 -0.635 . . . . 73.340000000000003 111.46 -171.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.3 m -69.54 -32.48 71.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.64 -0.709 . . . . 64.120000000000005 110.918 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 53.2 t -144.38 155.8 43.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.23 -0.441 . . . . 71.150000000000006 110.277 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.642 ' HA ' ' HB3' ' A' ' 90' ' ' MET . 6.0 tt0 -67.5 -21.85 65.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.383 -0.371 . . . . 73.420000000000002 110.674 177.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.46 -45.06 81.05 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.418 -0.355 . . . . 71.239999999999995 110.752 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.59 ' HG3' ' HB3' ' A' ' 84' ' ' PHE . 7.0 pt-20 -82.03 -26.0 34.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 73.349999999999994 110.722 178.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.642 ' HB3' ' HA ' ' A' ' 87' ' ' GLN . 13.3 tpt -62.48 -56.91 13.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.008 -0.542 . . . . 72.120000000000005 111.366 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.568 HG12 ' O ' ' A' ' 87' ' ' GLN . 24.6 pt -59.83 -45.8 94.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.457 -0.338 . . . . 74.420000000000002 111.805 -175.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.439 ' N ' HG13 ' A' ' 91' ' ' ILE . 2.8 pp -68.76 -29.65 44.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.51 0.195 . . . . 61.25 111.072 -176.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.596 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 92.6 t80 -65.8 -52.4 51.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.538 -0.301 . . . . 71.109999999999999 110.823 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -73.15 -28.74 62.4 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.892 -0.323 . . . . 70.150000000000006 111.169 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.624 ' HB3' HD12 ' A' ' 19' ' ' ILE . 69.3 mt -65.83 -46.66 77.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.929 0.395 . . . . 62.310000000000002 109.941 173.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 100' ' ' LEU . 10.9 t -66.86 -22.6 65.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.972 -0.558 . . . . 74.299999999999997 111.33 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.1 mt -62.02 -50.51 71.73 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.369 0.604 . . . . 75.420000000000002 109.949 174.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -72.28 -29.79 64.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.168 -0.924 . . . . 54.340000000000003 110.922 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.9 m -97.8 8.49 44.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.951 -0.568 . . . . 64.400000000000006 112.448 -173.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.677 HD22 HD11 ' A' ' 52' ' ' LEU . 29.7 tp -87.01 -27.25 23.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.351 0.596 . . . . 64.409999999999997 109.987 177.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -88.06 -20.63 25.48 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.703 -0.681 . . . . 54.399999999999999 109.392 174.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.8 mt -129.33 85.82 2.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.105 -0.952 . . . . 44.340000000000003 109.875 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -78.06 10.64 2.76 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.305 0.483 . . . . 71.129999999999995 112.305 -175.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -74.04 -12.23 60.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.136 -0.69 . . . . 61.43 109.136 169.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -108.16 71.06 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.77 -0.65 . . . . 65.219999999999999 109.951 173.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -151.85 -30.93 0.16 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.586 -0.524 . . . . 74.319999999999993 109.586 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -94.01 144.14 25.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.74 -0.663 . . . . 74.450000000000003 109.874 171.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 179.58 -24.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.896 -0.779 . . . . 74.140000000000001 108.896 -174.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 8.3 p80 . . . . . 0 C--O 1.246 0.89 0 CA-C-N 114.655 -1.157 . . . . 72.510000000000005 109.499 178.568 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.867 0.365 . . . . 74.310000000000002 110.449 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.26 81.35 0.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.707 -0.679 . . . . 73.219999999999999 110.073 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -142.14 105.21 4.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.358 0.599 . . . . 74.140000000000001 110.756 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -130.19 33.12 4.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.535 -0.757 . . . . 74.040000000000006 109.278 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -83.29 101.09 11.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.995 0.902 . . . . 74.420000000000002 111.572 -174.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.7 m -142.38 35.47 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.81 -1.086 . . . . 63.329999999999998 109.409 174.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.9 t -86.3 94.35 4.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 114.897 -1.047 . . . . 53.25 111.562 -171.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -146.55 147.57 31.26 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.049 -0.722 . . . . 73.219999999999999 109.049 171.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -130.28 90.42 2.94 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.977 0.894 . . . . 70.140000000000001 110.356 -176.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.54 112.23 24.89 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.783 -1.099 . . . . 63.420000000000002 111.108 -177.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.6 t -143.48 91.31 2.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.73 -0.668 . . . . 51.25 109.907 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.7 p -105.01 133.98 48.88 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.849 -0.614 . . . . 71.349999999999994 109.975 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -93.76 -46.32 7.28 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.863 -0.608 . . . . 74.400000000000006 109.914 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.79 -115.92 5.44 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.899 -0.667 . . . . 74.319999999999993 112.283 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.1 t 68.62 5.97 5.19 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.023 0.529 . . . . 64.310000000000002 111.473 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.96 98.13 11.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.6 -0.273 . . . . 45.530000000000001 111.327 -176.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.5 mm 70.27 135.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 O-C-N 123.787 0.68 . . . . 75.450000000000003 111.484 176.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.84 -54.26 16.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.974 0.416 . . . . 71.400000000000006 110.402 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.542 HG12 ' OG ' ' A' ' 99' ' ' SER . 6.0 mt -111.65 -74.53 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.749 0.785 . . . . 75.310000000000002 110.375 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 152.47 -28.99 0.86 Allowed Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 109.919 -1.272 . . . . 50.200000000000003 109.919 -174.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -86.55 130.88 34.33 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.301 -0.629 . . . . 73.510000000000005 109.301 173.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.9 m -120.7 176.24 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.72 0.295 . . . . 71.549999999999997 111.28 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 68.8 mt 66.27 77.44 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.961 0.886 . . . . 74.400000000000006 111.297 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -129.07 21.13 5.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.679 -1.146 . . . . 65.439999999999998 108.797 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.404 ' HB3' HG21 ' A' ' 91' ' ' ILE . 4.6 p-10 -83.59 160.86 21.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.227 -0.897 . . . . 75.25 111.511 -174.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -155.49 -63.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.428 -0.806 . . . . 72.030000000000001 109.591 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -141.93 -172.19 3.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.575 -0.738 . . . . 64.319999999999993 109.401 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.6 m -83.73 -16.92 43.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.675 0.75 . . . . 63.409999999999997 109.532 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.6 m -104.41 121.48 43.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.1 -0.954 . . . . 44.200000000000003 109.93 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t -105.4 133.6 49.89 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.657 -0.497 . . . . 44.140000000000001 109.657 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 3.0 mmmp? -99.35 112.35 24.55 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.647 -0.501 . . . . 74.420000000000002 109.647 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.581 ' HE2' ' HE2' ' A' ' 45' ' ' PHE . 84.7 t80 -115.37 119.95 37.97 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.866 -0.606 . . . . 72.439999999999998 110.211 -175.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 9.4 p -115.18 139.82 49.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.552 0.692 . . . . 51.43 111.388 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -139.03 144.55 38.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.135 -0.939 . . . . 61.310000000000002 109.555 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -115.15 129.65 56.72 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.016 0.436 . . . . 71.019999999999996 110.401 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -131.73 174.02 10.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.624 -0.716 . . . . 52.009999999999998 110.561 -176.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.26 -58.01 5.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.89 -0.595 . . . . 64.329999999999998 110.857 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 49.1 p -122.86 160.47 26.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.519 -0.31 . . . . 62.409999999999997 110.543 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.731 ' HG3' HG21 ' A' ' 69' ' ' ILE . 32.7 ttt180 -55.27 -32.17 62.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.094 0.473 . . . . 71.310000000000002 110.264 175.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -54.74 -52.27 63.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.52 -0.764 . . . . 73.150000000000006 110.436 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.97 -29.05 69.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.047 -0.979 . . . . 72.129999999999995 110.555 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.51 -48.41 22.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.768 -0.651 . . . . 62.119999999999997 110.825 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.37 -25.67 66.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 73.530000000000001 110.706 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.2 m -65.05 -28.74 69.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 64.400000000000006 110.865 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.581 ' HE2' ' HE2' ' A' ' 32' ' ' PHE . 38.3 t80 -79.27 -34.78 42.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.293 0.568 . . . . 63.229999999999997 109.513 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 37.4 tpp -65.29 -36.25 83.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.514 -0.766 . . . . 75.319999999999993 111.412 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.5 m -56.17 -52.0 65.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.482 -0.327 . . . . 53.030000000000001 111.805 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -72.57 -28.74 63.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.904 0.383 . . . . 72.439999999999998 111.417 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.472 HD12 ' HZ ' ' A' ' 93' ' ' PHE . 3.4 mm? -69.94 -24.98 63.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.437 -0.347 . . . . 75.519999999999996 111.219 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -56.92 -44.09 82.06 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.053 0.454 . . . . 70.120000000000005 110.861 176.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -63.14 -44.95 94.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.63 -0.714 . . . . 71.209999999999994 110.355 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.405 HD12 HD13 ' A' ' 49' ' ' LEU . 88.8 mt -64.82 -42.67 94.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.257 -0.883 . . . . 60.109999999999999 111.245 -177.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.27 -43.11 99.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.697 0.284 . . . . 65.030000000000001 111.479 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.29 83.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.992 0.425 . . . . 75.25 110.832 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.06 -35.58 80.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.962 -0.563 . . . . 43.43 110.801 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 93' ' ' PHE . . . -64.14 -48.82 74.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.692 -0.685 . . . . 65.319999999999993 111.128 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.575 ' HA ' ' HB3' ' A' ' 89' ' ' GLU . 9.3 t -64.45 -24.18 67.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.127 0.489 . . . . 44.020000000000003 110.066 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.1 m 66.3 8.98 6.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.452 -0.794 . . . . 52.409999999999997 111.621 174.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -101.64 19.67 17.63 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.058 -0.519 . . . . 63.229999999999997 111.396 -175.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 66.84 -73.19 0.08 Allowed 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.75 0.656 . . . . 73.200000000000003 111.372 177.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -99.51 -21.43 15.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.493 -0.776 . . . . 73.319999999999993 110.313 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.94 115.73 8.28 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.549 -0.75 . . . . 73.140000000000001 112.588 -178.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.05 124.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 122.715 0.406 . . . . 71.239999999999995 109.965 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.64 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 68.9 m -119.87 119.65 34.16 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.819 -0.437 . . . . 73.420000000000002 109.819 176.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -134.1 115.87 21.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.545 0.688 . . . . 54.409999999999997 111.278 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -108.49 96.54 6.42 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.002 -0.74 . . . . 55.100000000000001 109.002 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 38.2 p90 -106.38 135.6 47.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.392 0.615 . . . . 72.409999999999997 111.245 -175.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -111.58 139.0 47.38 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.088 -0.96 . . . . 54.009999999999998 109.401 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.731 HG21 ' HG3' ' A' ' 39' ' ' ARG . 26.4 mt -122.76 106.81 18.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.865 -0.607 . . . . 60.229999999999997 109.449 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.642 ' HB3' ' HG2' ' A' ' 77' ' ' GLU . 49.2 tptt -100.87 116.39 32.64 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.349 -0.54 . . . . 71.439999999999998 110.363 -176.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.743 ' HA ' HG12 ' A' ' 76' ' ' VAL . 4.7 m-20 -75.22 103.67 5.48 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.899 -1.046 . . . . 73.409999999999997 109.192 176.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.4 mt -97.78 -169.69 1.87 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.818 -0.628 . . . . 74.099999999999994 110.958 -173.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' A' ' 73' ' ' GLU . 5.8 pt-20 -89.85 101.55 14.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.448 -0.796 . . . . 60.32 110.687 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.01 -11.0 73.5 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.673 -0.694 . . . . 51.43 112.645 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -156.52 179.0 9.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.751 -0.463 . . . . 74.340000000000003 109.751 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.743 HG12 ' HA ' ' A' ' 71' ' ' ASP . 29.8 m -137.03 154.91 31.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 110.065 -0.346 . . . . 62.25 110.065 174.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.642 ' HG2' ' HB3' ' A' ' 70' ' ' LYS . 12.8 pt-20 -113.89 126.12 54.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.625 0.726 . . . . 73.439999999999998 110.218 174.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -97.45 107.73 20.31 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.673 -1.148 . . . . 73.450000000000003 107.923 174.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -113.57 100.08 8.23 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.531 -0.759 . . . . 73.519999999999996 109.563 -173.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -108.49 124.57 50.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.162 0.506 . . . . 51.140000000000001 111.884 -174.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.28 101.01 12.47 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.661 -0.7 . . . . 65.209999999999994 110.036 172.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -90.09 117.21 28.69 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.695 -0.483 . . . . 75.010000000000005 109.695 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.64 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 10.0 m -109.56 105.32 14.58 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.039 -0.528 . . . . 61.25 110.413 -176.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.415 ' HB3' ' HB2' ' A' ' 89' ' ' GLU . 99.2 m-85 -96.72 157.02 16.1 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.813 -0.63 . . . . 55.520000000000003 109.813 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.1 m -83.41 -16.21 46.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.211 0.529 . . . . 74.219999999999999 110.387 -177.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.575 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 21.6 m -134.19 141.24 46.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.14 -0.689 . . . . 74.0 109.14 174.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.572 ' O ' HG12 ' A' ' 91' ' ' ILE . 29.3 tt0 -65.6 -27.02 68.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.784 0.326 . . . . 71.129999999999995 110.25 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.79 77.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.93 -0.577 . . . . 74.409999999999997 110.467 175.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.575 ' HB3' ' HA ' ' A' ' 57' ' ' SER . 45.7 mt-10 -65.86 -31.75 72.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.817 -0.629 . . . . 70.439999999999998 110.32 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.58 ' HE3' HG23 ' A' ' 91' ' ' ILE . 16.7 tmm? -72.72 -49.85 28.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.688 -0.687 . . . . 63.439999999999998 110.638 -178.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.613 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 7.6 pt -67.6 -38.63 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.16 0.43 . . . . 63.219999999999999 112.16 -176.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 pp -65.95 -30.28 49.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 121.059 0.457 . . . . 71.439999999999998 110.144 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.578 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 53.9 t80 -68.91 -50.5 49.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.532 -0.758 . . . . 73.409999999999997 109.808 175.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.593 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 77.2 mm-40 -56.71 -38.34 72.19 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.578 -0.737 . . . . 73.099999999999994 112.08 178.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 82.9 mt -59.92 -53.46 57.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.657 -0.247 . . . . 72.200000000000003 110.992 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.1 m -60.72 -34.52 74.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.578 -0.283 . . . . 73.0 110.931 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 74.7 mt -63.09 -40.83 98.81 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.966 0.412 . . . . 74.049999999999997 110.663 177.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.593 ' NH1' ' HB3' ' A' ' 94' ' ' GLU . 48.5 mtt85 -67.95 -40.73 83.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.915 -0.584 . . . . 75.439999999999998 111.049 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.542 ' OG ' HG12 ' A' ' 19' ' ' ILE . 41.0 m -64.59 -34.67 78.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.003 0.43 . . . . 64.439999999999998 110.935 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.5 tp -75.04 -19.71 59.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.109 0.481 . . . . 74.420000000000002 110.58 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' A' ' 105' ' ' HIS . . . -86.64 5.42 36.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.245 -0.434 . . . . 70.420000000000002 110.744 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.4 mt -92.1 -25.68 18.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.414 . . . . 61.240000000000002 111.271 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -85.32 -32.1 22.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.691 0.281 . . . . 74.120000000000005 110.988 -178.757 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -119.4 89.7 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.338 0.59 . . . . 73.140000000000001 109.967 170.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.545 ' HB2' ' O ' ' A' ' 101' ' ' ALA . 58.5 t-80 -137.91 97.94 3.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.328 -0.851 . . . . 70.109999999999999 110.264 -176.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -65.9 144.55 56.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.648 -0.871 . . . . 64.319999999999993 108.648 168.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -51.63 -47.18 63.78 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.431 0.457 . . . . 63.130000000000003 111.659 -170.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -156.37 -57.65 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.764 -0.458 . . . . 75.329999999999998 109.764 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 . . . . . 0 C--O 1.244 0.8 0 N-CA-C 108.733 -0.84 . . . . 75.230000000000004 108.733 171.572 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.998 0.428 . . . . 61.439999999999998 110.096 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.03 96.94 2.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.108 -0.496 . . . . 63.450000000000003 110.486 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.0 ptm -155.17 111.19 3.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.309 0.576 . . . . 72.209999999999994 109.853 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -85.37 -30.35 23.72 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.666 -0.697 . . . . 63.119999999999997 110.851 -176.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -122.81 116.64 24.03 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.006 -0.543 . . . . 72.230000000000004 110.805 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.8 m -92.25 131.42 39.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-N 115.961 -0.563 . . . . 55.399999999999999 110.658 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.0 t -102.16 122.65 54.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.106 -0.497 . . . . 72.519999999999996 110.755 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -159.06 118.66 3.05 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.7 -0.682 . . . . 75.230000000000004 109.365 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -95.84 111.53 23.49 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.671 -0.695 . . . . 65.519999999999996 110.298 -175.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 p -111.56 89.3 3.02 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.916 -0.584 . . . . 44.43 111.331 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.1 t -81.13 137.84 35.93 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.138 -1.06 . . . . 64.349999999999994 108.138 171.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.9 m -77.35 85.84 3.76 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.426 0.632 . . . . 71.319999999999993 111.794 -172.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 19.3 ptmt -158.67 97.27 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.466 -0.788 . . . . 71.150000000000006 110.238 172.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.22 53.88 0.57 Allowed Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.183 -0.767 . . . . 72.430000000000007 111.183 176.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.8 m -84.35 80.19 9.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.265 0.555 . . . . 74.430000000000007 110.489 -177.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -142.97 104.64 4.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.611 -0.722 . . . . 73.340000000000003 110.453 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 tp -81.49 115.56 24.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.242 0.544 . . . . 71.439999999999998 109.68 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.498 ' HA ' HD13 ' A' ' 95' ' ' LEU . 13.1 t0 -161.07 135.46 7.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.658 -0.701 . . . . 74.5 111.011 -175.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.756 ' H ' HD22 ' A' ' 95' ' ' LEU . 44.6 mm -99.86 -11.42 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.52 -0.764 . . . . 71.010000000000005 109.887 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.04 9.6 31.81 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.515 -0.85 . . . . 72.219999999999999 112.286 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 m -81.29 100.41 9.16 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.395 -0.595 . . . . 61.109999999999999 109.395 176.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.1 125.08 61.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 121.584 0.706 . . . . 63.149999999999999 111.374 -174.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.6 tt -133.35 129.4 56.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.189 -0.914 . . . . 72.239999999999995 108.802 174.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -67.51 -78.39 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.96 0.409 . . . . 71.219999999999999 110.819 -173.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -161.23 139.03 9.27 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.92 -0.77 . . . . 71.120000000000005 108.92 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.462 ' HB3' ' H ' ' A' ' 27' ' ' ASN . 6.0 m-20 -159.37 -147.6 0.17 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.248 -0.887 . . . . 61.009999999999998 108.722 -171.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.462 ' H ' ' HB3' ' A' ' 26' ' ' ASP . 0.2 OUTLIER -85.51 176.58 8.15 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.528 -0.545 . . . . 63.229999999999997 109.528 171.649 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 67.1 m -104.97 13.25 31.3 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.033 0.444 . . . . 71.420000000000002 110.474 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.531 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 34.7 m -105.59 120.34 41.41 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.743 -0.662 . . . . 52.130000000000003 110.478 177.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.553 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 38.0 t -98.04 125.37 42.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.849 0.357 . . . . 65.549999999999997 110.383 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -100.57 112.02 24.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.766 -0.652 . . . . 62.310000000000002 109.585 174.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -120.58 117.89 28.77 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.038 -0.528 . . . . 74.310000000000002 110.116 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -115.24 113.38 23.81 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.183 -0.462 . . . . 74.150000000000006 109.909 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HD3' ' N ' ' A' ' 35' ' ' PHE . 1.5 tmt_? -123.23 134.94 54.08 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.423 -0.584 . . . . 73.040000000000006 109.423 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.425 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 78.2 m-85 -92.59 128.73 38.55 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.81 -0.632 . . . . 71.299999999999997 110.379 -178.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -121.14 169.06 10.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.249 -0.432 . . . . 74.019999999999996 110.323 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.58 -57.9 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.36 -0.382 . . . . 74.340000000000003 111.135 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.0 p -120.75 165.1 15.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.374 -0.376 . . . . 62.130000000000003 111.401 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -66.37 -21.97 66.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.439 0.638 . . . . 75.420000000000002 109.616 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -67.59 -45.67 74.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.302 -0.863 . . . . 71.329999999999998 109.88 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.99 -28.24 66.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.296 -0.865 . . . . 71.109999999999999 110.606 175.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.568 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -74.04 -51.41 15.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.835 -0.621 . . . . 71.030000000000001 110.82 -179.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.54 -36.67 83.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.044 -0.526 . . . . 70.209999999999994 111.165 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.9 m -65.71 -28.4 69.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.227 -0.442 . . . . 75.109999999999999 111.022 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.414 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 76.2 t80 -79.76 -44.62 20.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.952 0.405 . . . . 62.229999999999997 110.032 178.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.429 ' HA ' ' HB2' ' A' ' 49' ' ' LEU . 34.8 tpp -69.12 -39.13 79.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.937 -0.574 . . . . 61.229999999999997 111.863 -175.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 54.9 m -60.15 -44.79 94.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.587 0.232 . . . . 73.310000000000002 111.498 -178.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -74.22 -26.79 60.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.822 0.344 . . . . 55.450000000000003 110.39 177.44 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.457 HD13 HD12 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -61.75 -29.66 70.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.407 -0.36 . . . . 64.200000000000003 110.737 175.042 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HE2' HG11 ' A' ' 65' ' ' VAL . 2.2 mptm? -60.4 -34.66 74.23 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.259 -0.428 . . . . 71.340000000000003 110.66 175.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.52 -43.14 90.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.299 0.571 . . . . 61.310000000000002 110.139 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.633 HD11 HD13 ' A' ' 100' ' ' LEU . 92.1 mt -62.66 -50.17 72.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.348 -0.842 . . . . 61.530000000000001 111.074 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.32 92.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 60.43 111.467 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.44 ' HA ' ' HA3' ' A' ' 62' ' ' GLY . . . -61.57 -42.31 98.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 44.340000000000003 111.384 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.67 -26.83 37.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.253 -0.43 . . . . 73.120000000000005 111.342 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.14 -53.43 11.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.35 -0.386 . . . . 72.5 111.262 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.505 ' HB3' ' HA2' ' A' ' 62' ' ' GLY . 48.3 t -88.17 -66.46 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.458 -0.337 . . . . 71.409999999999997 110.865 -177.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m 68.28 16.64 9.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.444 -0.798 . . . . 53.009999999999998 112.084 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.95 -78.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.689 0.281 . . . . 51.310000000000002 110.818 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -100.19 -62.1 1.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.403 0.62 . . . . 72.140000000000001 109.536 173.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -125.56 -19.69 4.92 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.123 -0.944 . . . . 71.530000000000001 109.104 173.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.505 ' HA2' ' HB3' ' A' ' 57' ' ' SER . . . 137.09 71.61 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.509 -0.853 . . . . 64.340000000000003 112.434 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 63.84 -173.6 0.17 Allowed 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 122.857 0.463 . . . . 74.049999999999997 111.623 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.418 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 70.9 m -110.19 122.66 48.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.834 -0.621 . . . . 51.420000000000002 109.86 176.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.432 HG11 ' HE2' ' A' ' 50' ' ' LYS . 4.7 p -107.2 117.31 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.653 0.74 . . . . 42.439999999999998 111.814 -178.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.85 98.81 6.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.301 -0.863 . . . . 64.0 109.242 172.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -121.19 158.55 27.78 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.712 -0.395 . . . . 75.129999999999995 110.448 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -135.87 162.94 31.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.808 -0.633 . . . . 75.019999999999996 111.317 174.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.2 mt -127.57 104.94 13.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.613 -1.176 . . . . 73.219999999999999 108.981 175.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.758 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 88.3 tttt -92.86 118.38 31.06 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.059 0.457 . . . . 55.310000000000002 110.082 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -77.12 106.8 9.06 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.162 -0.926 . . . . 51.210000000000001 109.501 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 94.7 mt -101.33 -174.62 2.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.238 -0.437 . . . . 75.349999999999994 110.57 -176.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -94.95 99.6 11.59 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.098 0.475 . . . . 73.329999999999998 110.393 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.3 6.55 68.54 Favored Glycine 0 CA--C 1.515 0.085 0 CA-C-N 115.762 -0.654 . . . . 75.219999999999999 112.419 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 18.9 pt20 -170.79 179.47 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.328 -0.619 . . . . 74.25 109.328 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.9 m -137.41 154.81 30.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.844 0.354 . . . . 73.239999999999995 110.443 175.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.758 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 28.7 tt0 -104.56 113.47 27.06 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.931 -0.577 . . . . 75.329999999999998 110.014 177.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.568 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.1 tm? -93.43 109.1 20.68 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.146 -1.057 . . . . 51.0 108.146 174.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -113.17 112.02 23.08 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.723 -0.671 . . . . 75.439999999999998 110.029 -173.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.47 136.32 52.11 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.916 0.389 . . . . 73.239999999999995 111.473 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.553 ' HA ' ' O ' ' A' ' 30' ' ' SER . . . -129.39 106.82 9.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.794 -0.639 . . . . 71.120000000000005 109.815 172.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.531 ' O ' ' HA ' ' A' ' 29' ' ' THR . 91.4 m-85 -105.56 116.39 31.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.953 -0.567 . . . . 75.329999999999998 110.475 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.418 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 82.6 m -97.58 107.57 20.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.207 -0.451 . . . . 71.010000000000005 110.278 176.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.409 ' HB3' ' HB2' ' A' ' 89' ' ' GLU . 97.6 m-85 -90.76 171.76 9.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.96 -0.564 . . . . 52.43 110.53 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.71 -46.83 43.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.406 0.622 . . . . 64.030000000000001 109.852 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 81.5 m -134.35 158.97 42.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.445 -0.798 . . . . 74.510000000000005 109.791 175.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.485 ' O ' HG12 ' A' ' 91' ' ' ILE . 26.0 tt0 -60.55 -23.21 64.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.376 -0.375 . . . . 71.319999999999993 111.818 -177.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.63 74.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.816 0.341 . . . . 54.299999999999997 111.135 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 12.0 mt-10 -73.16 -28.69 62.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 71.340000000000003 110.65 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.424 ' HE2' ' HG3' ' A' ' 87' ' ' GLN . 56.8 ttp -75.26 -46.62 32.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 64.329999999999998 110.852 -177.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.513 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 16.4 pt -63.98 -40.86 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.482 -0.326 . . . . 74.200000000000003 111.841 -178.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 44.0 pt -66.59 -31.55 54.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.975 0.417 . . . . 62.409999999999997 110.492 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.597 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 79.1 t80 -67.61 -47.91 68.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.795 -0.638 . . . . 71.439999999999998 110.109 178.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -56.38 -44.31 80.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.555 . . . . 72.049999999999997 111.191 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.756 HD22 ' H ' ' A' ' 19' ' ' ILE . 86.8 mt -62.25 -45.59 92.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 73.439999999999998 110.503 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.8 m -61.84 -32.8 73.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.04 -0.527 . . . . 75.219999999999999 111.303 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 93.8 mt -61.87 -47.01 86.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.022 0.439 . . . . 75.239999999999995 110.503 176.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -65.54 -39.71 92.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.901 -0.59 . . . . 74.400000000000006 110.439 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.9 m -71.41 -10.21 59.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 75.439999999999998 111.677 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.633 HD13 HD11 ' A' ' 52' ' ' LEU . 10.1 tt -90.96 -52.85 4.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.836 0.35 . . . . 74.530000000000001 110.125 178.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.3 -32.5 74.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.857 -0.61 . . . . 70.0 110.141 177.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.4 mp -136.59 91.57 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.548 -0.751 . . . . 72.010000000000005 109.712 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -78.77 148.64 32.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.416 -0.356 . . . . 74.530000000000001 110.581 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.454 ' O ' ' HB2' ' A' ' 105' ' ' HIS . 67.2 m80 65.65 -166.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.695 0.622 . . . . 63.340000000000003 110.152 -177.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' A' ' 104' ' ' HIS . 38.6 m80 72.81 160.37 0.23 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.266 0.555 . . . . 73.120000000000005 111.427 -179.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 47.3 t60 60.27 26.08 15.54 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.162 -0.926 . . . . 74.230000000000004 112.251 174.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -79.87 63.46 4.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.314 0.578 . . . . 71.420000000000002 110.711 176.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -132.12 108.98 9.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.746 -0.661 . . . . 65.239999999999995 111.018 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 12.0 m170 . . . . . 0 C--O 1.245 0.861 0 N-CA-C 109.055 -0.72 . . . . 53.32 109.055 174.515 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.7 mtp . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.84 0.353 . . . . 75.109999999999999 110.224 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.87 71.63 1.45 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.142 0.496 . . . . 75.540000000000006 110.374 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -154.39 121.94 5.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.857 -0.61 . . . . 73.310000000000002 110.868 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 ptpp? -160.51 26.37 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.861 -0.609 . . . . 74.209999999999994 110.254 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -68.0 144.94 54.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.862 -0.608 . . . . 71.439999999999998 110.081 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -122.41 136.87 57.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.071 0.462 . . . . 73.430000000000007 110.916 -176.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -125.19 124.45 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 115.949 -0.569 . . . . 73.010000000000005 110.199 176.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -138.56 155.46 48.35 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.94 -0.573 . . . . 53.210000000000001 109.777 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.502 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -109.14 125.0 51.72 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.18 -0.918 . . . . 73.239999999999995 109.942 -173.872 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.1 t -152.58 93.02 1.73 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.098 0.475 . . . . 64.310000000000002 109.981 176.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.5 m -151.16 87.15 1.38 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.911 -0.586 . . . . 73.540000000000006 109.519 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 t -146.37 123.02 11.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.453 0.644 . . . . 54.210000000000001 111.472 -175.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -133.2 164.89 26.04 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.234 -0.893 . . . . 74.099999999999994 108.745 173.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.45 13.31 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 119.556 -1.307 . . . . 40.43 113.82 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.5 t -86.09 96.39 9.86 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.603 -0.888 . . . . 74.120000000000005 108.603 176.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.62 -35.89 17.8 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.326 0.491 . . . . 72.129999999999995 112.326 -171.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.07 164.95 18.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 112.835 0.68 . . . . 72.140000000000001 112.835 -173.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -148.23 123.91 10.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.93 -1.032 . . . . 72.109999999999999 109.365 171.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.527 ' H ' HD22 ' A' ' 95' ' ' LEU . 23.3 mm -100.55 -15.98 7.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.951 0.405 . . . . 60.119999999999997 110.476 -176.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.46 37.38 94.72 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.812 -0.708 . . . . 51.229999999999997 112.157 -176.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 m -81.74 79.44 8.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.564 0.697 . . . . 64.219999999999999 110.924 -177.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 m -126.56 86.9 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.947 -1.024 . . . . 71.430000000000007 110.092 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.6 tp -152.55 129.31 2.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.798 -0.637 . . . . 74.120000000000005 110.444 -177.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.1 t70 62.0 89.64 0.08 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.675 -0.693 . . . . 63.219999999999999 111.609 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -160.09 158.64 30.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.725 -0.671 . . . . 72.310000000000002 110.194 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -156.48 -58.42 0.09 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.722 -0.844 . . . . 64.409999999999997 108.722 176.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -92.53 -170.45 2.48 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.07 -0.968 . . . . 70.450000000000003 109.486 173.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.5 m -104.59 66.02 0.78 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.221 0.534 . . . . 73.430000000000007 109.637 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 89.8 m -144.38 126.48 15.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.717 -0.674 . . . . 72.230000000000004 111.753 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.1 m -96.92 105.41 17.55 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.107 -0.951 . . . . 73.319999999999993 109.513 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.71 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -98.67 113.99 26.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.877 0.846 . . . . 74.200000000000003 109.77 178.439 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -116.15 118.1 31.9 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.659 -1.155 . . . . 54.420000000000002 110.522 -176.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 5.7 m -118.79 118.12 30.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.065 -0.516 . . . . 55.409999999999997 109.924 177.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' A' ' 35' ' ' PHE . 2.3 tmt_? -142.81 141.96 31.76 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.501 -0.555 . . . . 71.420000000000002 109.501 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.413 ' N ' ' HD3' ' A' ' 34' ' ' ARG . 92.5 m-85 -88.08 136.25 33.06 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.177 -0.465 . . . . 72.549999999999997 109.994 -178.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.557 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 64.9 m-85 -123.99 164.03 20.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.677 -0.238 . . . . 71.099999999999994 110.591 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.588 ' O ' ' HA ' ' A' ' 75' ' ' GLN . . . -56.21 -50.04 72.37 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.74 0.65 . . . . 73.450000000000003 112.107 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.1 p -140.86 170.92 14.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.423 -0.353 . . . . 64.420000000000002 110.635 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.462 ' HA ' HG21 ' A' ' 76' ' ' VAL . 19.3 ptt180 -58.95 -28.37 66.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.156 0.503 . . . . 72.5 110.105 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.47 -44.94 95.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.586 -0.734 . . . . 62.200000000000003 110.977 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.561 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 51.8 mm-40 -60.41 -28.83 68.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.189 -0.914 . . . . 71.310000000000002 110.592 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.704 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -70.43 -50.81 34.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.767 -0.651 . . . . 61.009999999999998 110.291 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.57 -35.34 75.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.882 -0.599 . . . . 71.209999999999994 110.721 175.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.6 m -65.05 -28.53 69.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.602 -0.726 . . . . 75.25 111.708 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.494 ' O ' HD23 ' A' ' 49' ' ' LEU . 56.2 t80 -85.52 -29.75 23.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.128 0.489 . . . . 73.200000000000003 110.08 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.634 ' HG3' ' HE3' ' A' ' 50' ' ' LYS . 32.5 tpp -73.03 -41.12 64.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.738 -0.664 . . . . 73.310000000000002 112.071 -173.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.921 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 18.9 m -53.35 -56.0 20.32 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.386 0.513 . . . . 74.409999999999997 112.386 -174.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -67.96 -27.42 66.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.888 0.375 . . . . 53.439999999999998 111.629 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 45' ' ' PHE . 3.5 mm? -70.88 -29.04 65.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.523 -0.308 . . . . 73.25 111.132 177.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.921 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 34.1 mttt -59.1 -42.31 90.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.027 0.441 . . . . 73.340000000000003 110.676 175.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.68 -41.45 95.13 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.555 -0.748 . . . . 55.039999999999999 110.051 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.88 -44.7 65.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.298 -0.864 . . . . 73.230000000000004 111.325 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.38 97.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 72.239999999999995 111.841 -176.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.28 90.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.969 0.414 . . . . 74.129999999999995 111.251 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.05 -17.54 59.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.024 -0.535 . . . . 65.120000000000005 111.277 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.01 -36.7 80.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.186 -0.461 . . . . 63.140000000000001 111.207 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.588 ' HB2' ' HA2' ' A' ' 62' ' ' GLY . 46.5 m -102.64 -25.75 13.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.637 0.256 . . . . 52.539999999999999 111.312 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.4 m 70.02 -17.51 0.25 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.093 0.775 . . . . 70.120000000000005 113.093 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.28 71.47 4.75 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.223 -0.298 . . . . 70.530000000000001 111.533 -177.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 59.04 -85.42 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.686 0.795 . . . . 73.010000000000005 112.348 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -82.77 -20.9 34.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.604 -0.725 . . . . 63.130000000000003 110.329 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.588 ' HA2' ' HB2' ' A' ' 57' ' ' SER . . . 89.41 -99.07 2.52 Favored Glycine 0 N--CA 1.441 -0.994 0 N-CA-C 109.634 -1.386 . . . . 72.420000000000002 109.634 -169.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 83' ' ' THR . . . -167.36 -168.54 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.553 -0.165 . . . . 55.329999999999998 110.553 173.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.429 ' HB2' ' OG1' ' A' ' 83' ' ' THR . 67.7 m -56.39 125.07 20.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.643 0.608 . . . . 53.549999999999997 112.643 -174.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 p -123.45 115.25 44.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.543 0.687 . . . . 73.340000000000003 109.619 172.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.07 115.34 15.66 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.554 -0.748 . . . . 73.420000000000002 109.592 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.548 ' HA ' ' O ' ' A' ' 79' ' ' ASP . 45.4 p90 -124.35 138.33 54.39 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.321 0.581 . . . . 73.030000000000001 111.037 -179.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.491 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 37.7 mtmt -105.86 148.21 27.84 Favored 'General case' 0 CA--C 1.501 -0.908 0 CA-C-N 115.32 -0.855 . . . . 72.109999999999999 109.823 176.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 60.9 mt -122.98 102.21 11.06 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 N-CA-C 107.821 -1.177 . . . . 61.539999999999999 107.821 170.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.413 ' HD2' ' HA ' ' A' ' 70' ' ' LYS . 25.6 tptp -89.2 118.37 28.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.241 0.543 . . . . 64.439999999999998 110.205 -176.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -68.32 112.14 5.02 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.778 -1.101 . . . . 72.219999999999999 110.209 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 78.6 mt -116.35 179.1 4.09 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.716 -0.476 . . . . 75.299999999999997 109.716 175.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -87.48 106.04 17.71 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.282 -0.417 . . . . 71.129999999999995 109.882 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.55 -2.45 84.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.533 -0.842 . . . . 52.100000000000001 112.481 175.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.588 ' HA ' ' O ' ' A' ' 37' ' ' ALA . 20.2 pt20 -165.66 178.13 6.85 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.841 -0.429 . . . . 75.519999999999996 109.841 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.462 HG21 ' HA ' ' A' ' 39' ' ' ARG . 27.4 m -141.61 162.13 20.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.822 0.344 . . . . 71.150000000000006 110.879 176.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 40.2 tt0 -105.37 117.4 33.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.077 -0.511 . . . . 75.299999999999997 109.725 173.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.704 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.3 tm? -96.53 113.92 25.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.897 -0.779 . . . . 74.299999999999997 108.897 175.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.548 ' O ' ' HA ' ' A' ' 67' ' ' TYR . 11.0 t70 -120.98 106.39 11.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.742 -0.663 . . . . 74.519999999999996 110.036 -176.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.83 124.13 47.6 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.784 0.326 . . . . 75.120000000000005 111.561 -176.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.57 102.97 12.0 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.817 -0.438 . . . . 71.219999999999999 109.817 175.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' A' ' 29' ' ' THR . 87.9 m-85 -94.09 126.68 39.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.429 -0.351 . . . . 71.120000000000005 110.259 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.719 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 21.5 m -96.84 146.75 24.62 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.611 -0.515 . . . . 74.230000000000004 109.611 178.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.708 ' HB3' ' HB2' ' A' ' 89' ' ' GLU . 93.5 m-85 -124.2 147.35 48.08 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.222 -0.288 . . . . 73.510000000000005 110.222 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.3 m -65.51 -30.2 70.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.126 -0.488 . . . . 75.209999999999994 110.86 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.651 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 33.5 m -136.09 162.66 32.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.026 -0.534 . . . . 75.030000000000001 109.906 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.573 ' O ' ' HB3' ' A' ' 90' ' ' MET . 29.1 tt0 -75.75 -26.1 57.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.977 0.418 . . . . 75.010000000000005 110.045 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.59 88.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 63.109999999999999 110.082 173.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.708 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 1.3 mm-40 -62.79 -38.39 90.46 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.952 -0.567 . . . . 63.409999999999997 109.582 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.573 ' HB3' ' O ' ' A' ' 87' ' ' GLN . 11.5 tpt -54.05 -58.62 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.131 -0.941 . . . . 74.340000000000003 111.16 177.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.4 pt -70.91 -37.23 67.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.898 0.703 . . . . 73.120000000000005 112.898 -173.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 pp -67.02 -30.61 50.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 120.472 -0.491 . . . . 70.25 110.683 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.569 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 69.5 t80 -67.97 -47.81 67.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.733 -0.469 . . . . 72.540000000000006 109.733 175.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.575 ' O ' ' HD3' ' A' ' 98' ' ' ARG . 6.8 mm-40 -56.18 -47.71 77.78 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.673 -0.694 . . . . 73.140000000000001 110.875 176.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.527 HD22 ' H ' ' A' ' 19' ' ' ILE . 98.1 mt -55.04 -45.15 75.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.182 0.515 . . . . 71.120000000000005 110.881 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.8 m -64.72 -38.58 91.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.682 -0.69 . . . . 75.219999999999999 111.357 -177.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 71.0 mt -63.04 -40.01 96.45 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.999 0.428 . . . . 72.310000000000002 111.099 -179.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.575 ' HD3' ' O ' ' A' ' 94' ' ' GLU . 9.7 mpt_? -74.79 -30.56 61.47 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.023 -0.535 . . . . 71.430000000000007 110.103 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.7 m -75.66 -0.74 21.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.149 0.499 . . . . 64.219999999999999 110.585 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.6 tt -109.44 -68.39 0.92 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.826 -0.624 . . . . 60.310000000000002 110.592 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -99.8 -31.06 11.71 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.37 0.507 . . . . 73.409999999999997 112.37 -173.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 98' ' ' ARG . 88.6 mt -105.5 50.95 0.77 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.865 0.364 . . . . 75.409999999999997 110.393 -176.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.4 ' H ' ' HG3' ' A' ' 103' ' ' GLU . 16.8 mt-10 -53.48 -55.84 21.98 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.023 -0.99 . . . . 74.040000000000006 111.464 -173.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -80.59 102.26 9.69 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.268 -0.641 . . . . 73.409999999999997 109.268 176.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -126.92 83.61 2.18 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.805 -0.634 . . . . 75.420000000000002 110.945 -174.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -90.71 97.39 11.15 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.121 -0.696 . . . . 75.420000000000002 109.121 172.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -150.65 96.65 2.39 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.072 -0.714 . . . . 75.010000000000005 109.072 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 67.39 99.93 0.05 Allowed 'General case' 0 N--CA 1.465 0.277 0 O-C-N 124.116 0.885 . . . . 63.299999999999997 110.171 -176.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.521 -0.752 . . . . 74.109999999999999 111.042 -178.255 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.854 0.359 . . . . 72.120000000000005 110.298 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.91 155.59 4.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 62.130000000000003 110.768 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.4 ptm -123.74 141.47 51.99 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.083 -0.71 . . . . 75.219999999999999 109.083 175.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -155.4 102.72 2.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.434 0.635 . . . . 70.040000000000006 111.641 -175.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -141.98 159.77 41.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.787 -0.642 . . . . 74.150000000000006 109.642 174.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.9 m -133.96 160.68 41.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.224 -0.288 . . . . 63.25 110.224 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -130.88 131.6 64.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.271 0.558 . . . . 72.420000000000002 111.077 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -147.1 101.96 3.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.658 -0.701 . . . . 51.310000000000002 109.671 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -158.5 112.02 2.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.684 -0.689 . . . . 72.129999999999995 110.048 -176.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.1 m -143.82 29.26 1.38 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.133 0.492 . . . . 61.240000000000002 110.119 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 p -81.6 95.86 7.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.651 -0.704 . . . . 55.039999999999999 110.387 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.6 m -153.9 101.32 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.142 0.496 . . . . 75.510000000000005 111.305 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -152.92 144.74 23.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.644 -0.707 . . . . 52.009999999999998 109.892 173.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.17 20.66 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.039 -0.601 . . . . 54.43 112.522 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.6 m -79.44 107.86 12.53 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 110.123 -0.325 . . . . 74.010000000000005 110.123 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -152.7 -51.08 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.214 -0.448 . . . . 75.439999999999998 111.408 -176.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.5 tt -74.1 125.3 33.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.329 0.585 . . . . 75.519999999999996 110.877 -176.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -135.08 88.46 2.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.834 -0.621 . . . . 71.010000000000005 110.572 -176.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.1 pp -135.25 120.02 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-O 122.204 1.002 . . . . 53.25 111.363 176.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.66 45.53 2.73 Favored Glycine 0 C--N 1.312 -0.785 0 CA-C-N 114.572 -1.195 . . . . 52.340000000000003 111.436 174.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.3 m -134.56 129.89 35.72 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.173 -0.306 . . . . 55.299999999999997 110.173 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.7 m -114.2 170.46 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.925 0.393 . . . . 72.340000000000003 111.249 -178.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.6 tt -150.95 145.75 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.515 -0.766 . . . . 54.310000000000002 109.26 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -75.74 -82.36 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.667 0.27 . . . . 71.019999999999996 111.271 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -169.04 152.11 5.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.37 -0.377 . . . . 55.039999999999999 110.161 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -139.55 -85.27 0.24 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.261 -0.427 . . . . 55.43 109.948 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -146.34 -155.1 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.603 -0.888 . . . . 73.299999999999997 108.603 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.9 m -111.03 3.91 19.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.383 0.611 . . . . 62.020000000000003 109.739 173.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.7 m -116.44 121.14 40.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.488 -0.778 . . . . 75.340000000000003 109.961 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.835 ' HB2' ' HG3' ' A' ' 90' ' ' MET . 11.6 t -104.17 127.55 51.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.986 0.422 . . . . 33.539999999999999 110.573 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -98.93 127.94 44.97 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.993 -0.549 . . . . 73.049999999999997 109.741 175.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -119.86 118.7 31.46 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.675 -0.491 . . . . 73.510000000000005 109.675 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m -128.57 116.66 19.99 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.134 -0.321 . . . . 45.43 110.134 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -137.89 142.62 40.66 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.092 -0.336 . . . . 72.109999999999999 110.092 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -91.03 144.29 25.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.419 -0.355 . . . . 73.540000000000006 110.665 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.457 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 89.4 m-85 -132.96 157.3 45.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.335 -0.393 . . . . 74.109999999999999 110.678 178.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.26 83.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 71.409999999999997 111.411 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -120.14 154.13 35.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.198 -0.455 . . . . 35.439999999999998 110.064 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.727 ' HA ' HG21 ' A' ' 76' ' ' VAL . 69.5 ttt-85 -58.87 -35.28 72.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.348 0.594 . . . . 74.030000000000001 110.356 175.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.55 -38.27 86.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.349 -0.841 . . . . 71.200000000000003 111.543 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.457 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 30.6 mm-40 -55.33 -33.03 62.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.188 -0.915 . . . . 64.030000000000001 110.771 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.501 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -76.26 -43.35 42.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.663 -0.698 . . . . 64.340000000000003 110.353 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -58.88 -47.86 83.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.736 -0.666 . . . . 72.120000000000005 110.38 178.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -64.15 -30.59 71.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.582 -0.735 . . . . 64.049999999999997 111.37 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.549 ' O ' HD23 ' A' ' 49' ' ' LEU . 38.1 t80 -75.96 -37.32 58.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.991 0.424 . . . . 72.420000000000002 110.233 -177.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.422 ' HE1' ' HB2' ' A' ' 80' ' ' ALA . 42.6 tpp -64.54 -26.24 68.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.063 -0.517 . . . . 71.109999999999999 111.107 -179.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.45 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 6.4 m -59.56 -48.54 81.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.392 -0.367 . . . . 70.430000000000007 111.642 -177.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -72.83 -28.35 62.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.83 0.348 . . . . 74.409999999999997 110.887 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 45' ' ' PHE . 3.7 mm? -62.56 -39.43 93.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.039 -0.528 . . . . 74.349999999999994 110.672 176.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.45 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 42.0 mttt -59.34 -47.65 84.62 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.403 -0.362 . . . . 73.010000000000005 111.305 177.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -59.51 -45.81 90.66 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.189 -0.46 . . . . 63.329999999999998 110.948 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.515 HD13 HD23 ' A' ' 97' ' ' LEU . 98.6 mt -64.73 -40.12 94.8 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.542 -0.754 . . . . 74.409999999999997 111.193 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.12 93.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.712 0.291 . . . . 71.140000000000001 110.99 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.28 -30.75 71.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 53.130000000000003 111.336 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.69 -28.73 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.424 -0.353 . . . . 71.129999999999995 111.245 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.27 -43.04 22.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 52.100000000000001 111.889 -177.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 p -72.89 130.66 40.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.223 0.535 . . . . 60.210000000000001 110.844 -177.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.3 m -106.98 18.63 21.55 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.486 0.66 . . . . 72.430000000000007 110.089 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.27 8.67 15.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.398 -0.819 . . . . 52.200000000000003 111.631 -177.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 70.13 -71.58 0.12 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.489 0.716 . . . . 61.0 112.59 174.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.41 -34.61 78.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.889 0.376 . . . . 75.409999999999997 111.011 -176.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.0 -152.65 24.78 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.879 -0.677 . . . . 55.399999999999999 111.797 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.96 157.36 43.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.824 -0.435 . . . . 54.140000000000001 109.824 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.936 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 66.7 m -73.83 106.81 5.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.457 -0.338 . . . . 63.149999999999999 110.464 178.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.495 HG22 ' HD2' ' A' ' 67' ' ' TYR . 4.0 p -116.0 115.72 50.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 121.402 0.62 . . . . 70.109999999999999 110.847 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.559 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . . . -100.09 96.74 7.71 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.775 -0.648 . . . . 61.219999999999999 109.673 175.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.495 ' HD2' HG22 ' A' ' 65' ' ' VAL . 4.9 p90 -99.34 120.08 38.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.213 0.53 . . . . 74.209999999999994 111.13 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -128.14 148.47 50.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.69 -0.686 . . . . 74.420000000000002 110.593 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.503 HG12 HD23 ' A' ' 78' ' ' LEU . 60.2 mt -131.9 105.39 9.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.109 -0.95 . . . . 55.25 109.103 177.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -86.79 115.99 24.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.605 0.717 . . . . 75.519999999999996 110.495 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.643 ' HA ' HG12 ' A' ' 76' ' ' VAL . 7.0 p-10 -80.11 105.36 11.33 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.265 -1.334 . . . . 72.530000000000001 110.119 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 72.4 mt -107.32 -174.53 2.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.72 -0.673 . . . . 73.510000000000005 110.182 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -87.87 104.78 16.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.997 0.427 . . . . 53.539999999999999 110.779 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.79 -17.75 58.72 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.914 -0.66 . . . . 74.219999999999999 112.643 175.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 14.2 pt20 -158.69 172.0 19.06 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.148 -0.316 . . . . 70.109999999999999 110.148 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.727 HG21 ' HA ' ' A' ' 39' ' ' ARG . 27.1 m -134.81 164.11 34.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.806 0.336 . . . . 73.230000000000004 110.872 178.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -116.9 117.2 29.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.925 -0.58 . . . . 72.540000000000006 110.11 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.503 HD23 HG12 ' A' ' 69' ' ' ILE . 3.2 tm? -89.13 113.67 24.86 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.191 -1.04 . . . . 52.43 108.191 174.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -126.96 119.57 27.02 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.764 -0.653 . . . . 73.200000000000003 110.409 -174.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 66' ' ' ALA . . . -130.32 133.15 46.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.18 0.514 . . . . 53.399999999999999 111.462 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.559 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . . . -109.0 108.16 18.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.567 -0.742 . . . . 50.520000000000003 110.063 174.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -97.9 112.78 24.57 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.392 -0.367 . . . . 71.230000000000004 110.193 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.936 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 11.7 m -102.85 105.83 16.29 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.106 -0.497 . . . . 74.219999999999999 110.261 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -95.46 -168.57 1.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.23 -0.441 . . . . 73.230000000000004 110.418 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.8 m -99.49 -43.58 6.48 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.328 -0.619 . . . . 61.020000000000003 109.328 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 34.2 m -116.65 148.65 40.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.21 -0.905 . . . . 64.439999999999998 110.108 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.569 ' O ' HG12 ' A' ' 91' ' ' ILE . 27.1 tt0 -61.07 -31.23 70.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.25 -0.432 . . . . 75.219999999999999 110.47 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.539 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -52.78 -46.33 67.53 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.891 -0.595 . . . . 32.5 110.861 176.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.99 -35.93 82.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.349 -0.387 . . . . 65.010000000000005 110.569 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.835 ' HG3' ' HB2' ' A' ' 30' ' ' SER . 20.6 ttt -64.11 -57.86 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.828 -0.624 . . . . 72.319999999999993 110.823 178.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 87' ' ' GLN . 19.2 pt -65.37 -39.6 85.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.407 0.521 . . . . 73.319999999999993 112.407 -174.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 88' ' ' ALA . 40.1 pt -65.36 -30.99 51.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 120.747 -0.381 . . . . 75.0 110.479 179.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.548 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 75.1 t80 -67.89 -51.6 46.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.961 -0.563 . . . . 70.099999999999994 110.889 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.464 ' HA ' HD12 ' A' ' 97' ' ' LEU . 7.1 pt-20 -73.83 -27.61 61.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.588 -0.278 . . . . 71.329999999999998 111.711 -176.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 80.5 mt -68.99 -42.27 76.72 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.9 -0.407 . . . . 71.099999999999994 109.9 173.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.6 t -60.82 -36.78 79.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.009 -0.542 . . . . 73.439999999999998 110.6 176.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 94.1 mt -53.73 -48.94 69.14 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.959 0.409 . . . . 70.5 110.599 176.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -65.89 -39.3 90.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.772 -0.649 . . . . 73.409999999999997 110.974 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.8 t -64.68 -42.54 95.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 52.030000000000001 110.827 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.4 tp -71.16 -35.41 71.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.335 -0.393 . . . . 74.310000000000002 110.69 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.95 -26.1 68.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 74.150000000000006 110.988 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.844 HD22 ' HA ' ' A' ' 106' ' ' HIS . 4.2 pp -107.44 -8.93 16.1 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.783 -0.367 . . . . 63.329999999999998 111.211 -178.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 69.33 -65.93 0.28 Allowed 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.908 0.755 . . . . 74.530000000000001 111.479 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.576 ' O ' ' HB2' ' A' ' 105' ' ' HIS . 38.2 t-80 -164.77 137.76 4.76 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.862 -0.792 . . . . 75.230000000000004 108.862 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.576 ' HB2' ' O ' ' A' ' 104' ' ' HIS . 15.5 m80 77.56 117.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.944 0.777 . . . . 71.439999999999998 110.08 -171.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.844 ' HA ' HD22 ' A' ' 102' ' ' LEU . 15.3 t60 -61.7 109.6 1.26 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.476 -0.784 . . . . 75.329999999999998 111.454 -172.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -98.57 107.04 19.4 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.041 -0.726 . . . . 75.299999999999997 109.041 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -69.53 -51.21 37.77 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.858 0.318 . . . . 64.519999999999996 111.858 -174.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.375 -0.822 . . . . 51.219999999999999 110.58 -178.89 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 120.714 0.293 . . . . 73.019999999999996 110.504 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.79 125.4 29.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.216 -0.447 . . . . 70.239999999999995 110.574 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.0 ptm -143.52 156.22 44.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.076 -0.511 . . . . 65.109999999999999 110.22 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -149.23 116.38 6.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.905 0.383 . . . . 75.5 110.901 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -131.56 105.06 7.31 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.104 -0.498 . . . . 74.239999999999995 109.857 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.4 m -107.56 138.82 31.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.18 -0.464 . . . . 63.130000000000003 110.317 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.2 t -109.31 84.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.642 -0.503 . . . . 63.420000000000002 109.642 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -146.78 108.01 4.23 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-O 121.568 0.699 . . . . 52.32 111.598 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -148.88 86.3 1.51 Allowed 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.03 -1.441 . . . . 74.450000000000003 108.825 173.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 p -75.68 141.77 42.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.732 -0.667 . . . . 63.509999999999998 111.488 -174.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.7 m -96.95 101.85 13.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.081 -0.509 . . . . 34.329999999999998 110.127 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 11.7 p -113.87 -165.66 1.02 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.354 -0.385 . . . . 40.420000000000002 110.778 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 12' ' ' THR . 12.7 mptt 73.03 143.66 0.07 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.526 0.679 . . . . 71.510000000000005 111.645 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 148.7 101.0 0.24 Allowed Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.639 -0.71 . . . . 52.039999999999999 111.695 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 68.1 m -131.76 153.4 50.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.972 0.415 . . . . 61.329999999999998 111.49 -176.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -150.22 83.92 1.38 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.726 -0.67 . . . . 61.200000000000003 109.419 174.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.4 pt -141.5 -173.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 52.439999999999998 111.107 -175.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.7 t70 73.42 133.17 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 O-C-N 124.515 1.134 . . . . 73.439999999999998 111.419 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.6 mt -103.74 11.13 8.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.963 -0.562 . . . . 74.349999999999994 110.496 -175.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.93 -70.82 2.99 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.937 -0.865 . . . . 71.299999999999997 110.937 -173.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.787 ' HA ' HD11 ' A' ' 95' ' ' LEU . 26.1 m 75.13 117.96 0.05 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.678 0.751 . . . . 71.400000000000006 112.874 173.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.5 m -123.25 -173.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.966 -1.015 . . . . 53.210000000000001 109.296 174.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 84.6 mt 70.48 117.63 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 121.46 0.648 . . . . 43.340000000000003 111.35 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -84.29 104.72 14.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.85 -0.614 . . . . 75.230000000000004 110.865 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -71.51 136.24 47.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.202 -0.453 . . . . 72.129999999999995 109.889 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -84.09 -7.94 59.24 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.267 0.469 . . . . 71.450000000000003 112.267 -174.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.37 167.85 21.91 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.878 -0.329 . . . . 73.430000000000007 110.458 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 75.4 m -102.6 14.75 31.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.994 0.426 . . . . 74.439999999999998 111.572 -177.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.9 m -106.44 131.21 53.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.292 -0.413 . . . . 71.510000000000005 110.219 176.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 24.8 t -97.98 116.23 29.78 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.655 -0.498 . . . . 72.439999999999998 109.655 178.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.58 113.17 25.42 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.668 -0.493 . . . . 74.129999999999995 109.668 177.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.462 ' HE2' ' HE2' ' A' ' 45' ' ' PHE . 65.1 t80 -121.28 118.63 30.03 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.026 -0.534 . . . . 74.239999999999995 110.197 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -122.95 131.14 53.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.966 -0.561 . . . . 53.539999999999999 110.478 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HD2' HH11 ' A' ' 34' ' ' ARG . 7.9 mmt85 -137.59 154.59 49.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.299 -0.41 . . . . 73.319999999999993 111.619 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -107.27 135.05 49.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.165 -0.471 . . . . 72.209999999999994 110.011 176.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -132.68 168.25 18.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.313 -0.403 . . . . 50.100000000000001 110.498 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.89 -56.82 7.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.072 0.463 . . . . 51.020000000000003 111.031 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.551 ' OG1' ' HG2' ' A' ' 41' ' ' GLU . 79.6 p -124.3 166.43 15.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.044 -0.525 . . . . 53.329999999999998 110.434 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.753 ' HG3' HG21 ' A' ' 69' ' ' ILE . 26.5 ttt85 -64.32 -29.41 70.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.118 0.485 . . . . 73.310000000000002 109.913 177.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -58.74 -47.45 84.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.341 -0.845 . . . . 74.420000000000002 110.546 175.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.551 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 42.2 mm-40 -60.03 -29.31 68.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.041 -0.981 . . . . 73.140000000000001 110.948 178.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.95 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.851 -0.613 . . . . 71.540000000000006 110.767 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -63.57 -34.58 78.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 72.409999999999997 110.2 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.1 t -59.77 -38.81 82.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.498 -0.773 . . . . 74.450000000000003 110.499 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.462 ' HE2' ' HE2' ' A' ' 32' ' ' PHE . 5.9 t80 -80.04 -28.97 39.22 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.954 0.407 . . . . 74.129999999999995 110.14 -176.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 42.6 tpp -68.19 -30.45 69.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 71.25 110.191 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -62.71 -47.54 83.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 60.539999999999999 110.723 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.0 ptmt -73.36 -28.16 61.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.521 -0.309 . . . . 75.519999999999996 111.06 178.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -39.11 88.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.75 0.309 . . . . 70.140000000000001 110.188 176.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -60.16 -40.98 91.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 70.0 110.996 174.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -64.72 -44.49 90.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 73.219999999999999 110.384 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 96.8 mt -61.49 -42.51 98.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 73.030000000000001 110.686 178.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.26 96.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 55.520000000000003 111.034 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.57 98.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 72.5 111.12 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.67 77.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.516 . . . . 70.319999999999993 111.154 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.16 -51.97 18.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.002 -0.544 . . . . 53.200000000000003 111.466 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.8 p -63.83 131.49 47.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.703 0.764 . . . . 72.150000000000006 111.326 -175.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.0 m -121.81 -9.7 8.79 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.171 -0.922 . . . . 53.450000000000003 109.205 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.55 ' CB ' ' HB2' ' A' ' 85' ' ' SER . . . -64.84 -59.97 3.61 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.903 -1.044 . . . . 72.329999999999998 112.301 -177.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -137.4 -87.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.483 -0.487 . . . . 74.120000000000005 112.158 -175.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -127.96 -23.16 3.39 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.564 0.697 . . . . 74.420000000000002 109.352 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 179.03 -139.93 4.18 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.174 -0.921 . . . . 62.450000000000003 112.146 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -145.13 160.52 41.3 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.373 -0.232 . . . . 75.150000000000006 110.373 -176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.583 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 49.0 m -69.94 108.78 4.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.254 -0.43 . . . . 61.5 110.016 176.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.502 HG22 ' HD1' ' A' ' 67' ' ' TYR . 3.9 p -100.8 115.95 43.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.542 0.687 . . . . 73.099999999999994 111.299 -177.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.05 105.93 11.92 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.478 -0.783 . . . . 52.43 109.146 173.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.502 ' HD1' HG22 ' A' ' 65' ' ' VAL . 42.3 p90 -132.19 159.26 39.5 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.328 -0.397 . . . . 71.349999999999994 111.067 -174.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.436 ' CD ' ' HB3' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -134.86 148.58 50.16 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.156 0.503 . . . . 73.140000000000001 109.798 170.425 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.753 HG21 ' HG3' ' A' ' 39' ' ' ARG . 45.4 mt -112.09 104.75 17.55 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 108.165 -1.05 . . . . 64.239999999999995 108.165 173.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -92.5 120.2 32.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.255 0.55 . . . . 73.319999999999993 110.781 -175.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.567 ' HA ' HG12 ' A' ' 76' ' ' VAL . 12.5 m-20 -77.82 94.25 4.48 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.833 -1.076 . . . . 72.319999999999993 108.622 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 95.9 mt -88.3 -167.41 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.232 0.539 . . . . 73.420000000000002 111.007 -174.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -93.89 97.02 10.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.695 -0.684 . . . . 71.519999999999996 110.725 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.58 -6.28 77.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.979 -0.629 . . . . 50.32 112.409 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.432 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 9.7 pt20 -160.71 -178.36 6.81 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.104 -0.702 . . . . 73.400000000000006 109.104 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.567 HG12 ' HA ' ' A' ' 71' ' ' ASP . 35.7 m -133.49 157.18 42.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.636 0.255 . . . . 74.349999999999994 110.755 176.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' HB2' HD11 ' A' ' 72' ' ' LEU . 43.0 tt0 -112.58 119.98 40.0 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.171 -0.468 . . . . 73.329999999999998 109.948 175.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.565 HD23 HG12 ' A' ' 69' ' ' ILE . 3.4 tm? -98.56 111.94 24.14 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.192 -1.04 . . . . 71.209999999999994 108.192 175.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.436 ' HB3' ' CD ' ' A' ' 68' ' ' LYS . 21.5 t70 -125.78 114.52 18.71 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.331 -0.395 . . . . 70.010000000000005 110.338 -176.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.58 127.02 47.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.171 -0.468 . . . . 31.210000000000001 111.538 -176.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 30' ' ' SER . . . -109.3 110.99 22.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.897 -0.592 . . . . 53.329999999999998 110.21 174.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -101.1 112.89 25.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.159 -0.473 . . . . 73.450000000000003 110.864 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.583 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 72.1 m -92.49 104.75 17.03 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.917 -0.401 . . . . 64.319999999999993 109.917 174.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -78.8 172.25 14.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.98 -0.554 . . . . 74.409999999999997 110.95 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.55 ' HB2' ' CB ' ' A' ' 59' ' ' ALA . 16.9 m -102.34 -19.41 15.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.131 0.491 . . . . 64.450000000000003 110.029 -176.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.606 ' HB3' ' HG2' ' A' ' 89' ' ' GLU . 42.7 t -123.43 151.58 42.51 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.652 -0.704 . . . . 31.449999999999999 109.19 173.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.65 ' O ' HG12 ' A' ' 91' ' ' ILE . 27.3 tt0 -74.36 -32.84 62.92 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.621 -0.431 . . . . 74.310000000000002 110.517 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.51 -48.3 81.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.286 -0.415 . . . . 64.430000000000007 111.178 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.606 ' HG2' ' HB3' ' A' ' 86' ' ' CYS . 15.0 pt-20 -64.93 -27.3 68.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 62.119999999999997 111.223 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.669 ' HE3' HG23 ' A' ' 91' ' ' ILE . 14.3 tmm? -75.64 -48.38 22.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.282 -0.417 . . . . 72.319999999999993 111.015 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.669 HG23 ' HE3' ' A' ' 90' ' ' MET . 7.2 pt -69.22 -34.52 63.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 112.086 0.402 . . . . 54.310000000000002 112.086 -176.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 pp -71.29 -29.91 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.708 -0.397 . . . . 65.019999999999996 110.214 176.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.689 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 72.6 t80 -64.52 -43.18 94.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.542 . . . . 72.409999999999997 109.597 175.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.427 ' O ' ' HD3' ' A' ' 98' ' ' ARG . 56.2 mm-40 -54.97 -44.59 74.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.466 -0.788 . . . . 72.329999999999998 110.885 177.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.787 HD11 ' HA ' ' A' ' 21' ' ' THR . 67.9 mt -70.42 -47.74 59.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.196 -0.456 . . . . 73.109999999999999 111.103 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.5 m -54.4 -39.35 67.19 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.264 -0.426 . . . . 64.319999999999993 111.483 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 85.6 mt -57.57 -51.58 68.88 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.065 0.459 . . . . 73.040000000000006 111.546 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.498 ' O ' ' HB3' ' A' ' 102' ' ' LEU . 5.9 mpt_? -77.24 -30.94 54.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.919 -0.582 . . . . 73.209999999999994 111.383 -172.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.2 m -83.18 -0.36 48.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.338 -0.392 . . . . 60.119999999999997 111.354 -177.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.1 tp -115.6 -59.5 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.866 0.365 . . . . 74.239999999999995 111.264 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -96.93 26.22 4.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.148 -0.478 . . . . 55.130000000000003 111.374 -173.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 103' ' ' GLU . 2.6 pp -56.12 -40.38 73.66 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 112.092 0.404 . . . . 74.329999999999998 112.092 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.589 ' N ' HD12 ' A' ' 102' ' ' LEU . 0.0 OUTLIER 59.18 -174.47 0.1 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.364 0.415 . . . . 52.229999999999997 110.86 179.056 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 53.0 m80 72.09 -71.83 0.13 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.032 0.533 . . . . 73.010000000000005 111.006 174.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 179.0 -22.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.735 -0.666 . . . . 72.209999999999994 109.217 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -169.85 173.33 6.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.416 -0.811 . . . . 74.030000000000001 109.323 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 102' ' ' LEU . 6.9 p80 -114.72 134.22 55.27 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.769 -0.372 . . . . 73.0 110.125 177.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -81.37 -40.74 23.03 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.707 -0.849 . . . . 71.329999999999998 108.707 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 . . . . . 0 C--O 1.243 0.75 0 CA-C-N 114.975 -1.012 . . . . 64.140000000000001 108.736 171.893 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.835 0.35 . . . . 71.549999999999997 110.252 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.01 108.45 3.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.029 0.442 . . . . 74.109999999999999 110.557 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.56 130.61 49.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.169 0.509 . . . . 63.420000000000002 110.454 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -108.59 97.55 7.19 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.96 -0.564 . . . . 73.109999999999999 109.679 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -117.01 157.48 25.74 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.716 -0.675 . . . . 73.25 110.647 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.7 p -161.51 113.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.374 0.607 . . . . 73.109999999999999 110.203 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.1 t -105.91 94.67 3.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.975 -0.557 . . . . 71.310000000000002 111.187 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -125.49 103.04 7.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 74.099999999999994 109.625 175.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -161.42 139.27 9.18 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.356 -0.384 . . . . 73.030000000000001 110.139 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.0 t -157.95 159.6 36.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.222 -0.445 . . . . 53.409999999999997 109.963 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.1 t -151.77 143.9 23.93 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.992 -0.744 . . . . 43.530000000000001 108.992 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 t -159.36 87.9 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.719 0.771 . . . . 65.530000000000001 111.614 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -152.34 128.4 10.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.176 -0.92 . . . . 74.219999999999999 110.118 173.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.12 53.11 0.1 OUTLIER Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.9 -0.667 . . . . 53.210000000000001 112.049 -177.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -88.31 37.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.99 0.424 . . . . 70.310000000000002 110.425 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.79 136.65 57.97 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.881 -0.6 . . . . 72.329999999999998 110.81 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 pp -105.93 160.18 5.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.932 -0.577 . . . . 75.329999999999998 111.834 -177.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -153.78 143.78 22.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.407 -0.815 . . . . 65.040000000000006 109.644 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.917 ' HB ' HD22 ' A' ' 95' ' ' LEU . 46.1 mm -75.19 -28.16 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.303 0.573 . . . . 75.450000000000003 109.837 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.52 65.85 0.97 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.753 -0.736 . . . . 44.240000000000002 112.237 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.703 ' HB ' HD21 ' A' ' 95' ' ' LEU . 37.5 m -151.56 85.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.681 0.753 . . . . 75.230000000000004 110.888 176.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 t -136.94 95.95 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 114.792 -1.095 . . . . 74.510000000000005 108.149 174.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.599 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.1 mp -67.76 -68.86 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.227 -0.442 . . . . 73.319999999999993 110.862 -172.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -164.21 -86.23 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.876 -0.787 . . . . 73.329999999999998 108.876 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -129.19 118.91 23.16 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.618 -1.252 . . . . 75.099999999999994 107.618 169.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.44 ' OD2' ' HB ' ' A' ' 23' ' ' ILE . 14.6 m-20 -130.88 32.13 4.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.15 -0.477 . . . . 45.310000000000002 111.042 -169.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 70.43 174.91 0.29 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.666 -0.697 . . . . 70.239999999999995 111.267 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.9 p -107.55 -6.06 17.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.769 -0.65 . . . . 54.130000000000003 109.84 175.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.2 m -92.48 117.34 29.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.627 -0.715 . . . . 52.149999999999999 110.175 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.658 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 23.2 t -98.27 116.2 30.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.543 -0.54 . . . . 71.400000000000006 109.543 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.774 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -104.72 160.35 15.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.055 -0.52 . . . . 71.150000000000006 110.2 -178.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -154.26 118.87 4.89 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.63 -0.714 . . . . 64.420000000000002 110.202 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.665 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 3.9 p -134.97 106.94 7.06 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.296 0.57 . . . . 63.020000000000003 110.629 175.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -127.2 143.98 51.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.564 -0.744 . . . . 74.329999999999998 110.039 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.47 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 98.3 m-85 -87.38 133.87 33.66 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.054 -0.521 . . . . 73.430000000000007 109.726 175.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.73 ' HB3' ' HB2' ' A' ' 41' ' ' GLU . 96.6 m-85 -117.7 161.65 19.33 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.877 -0.601 . . . . 74.329999999999998 110.085 -179.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.71 -43.18 98.13 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.362 0.413 . . . . 52.32 111.089 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.39 166.54 24.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.515 -0.55 . . . . 74.530000000000001 109.515 178.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.75 ' HA ' HG21 ' A' ' 76' ' ' VAL . 19.0 ttt180 -61.43 -29.34 69.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.676 0.274 . . . . 52.219999999999999 110.76 -179.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.62 -50.51 65.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.403 0.62 . . . . 64.409999999999997 110.528 174.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.73 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 42.4 mm-40 -57.37 -33.03 67.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.792 -1.095 . . . . 74.420000000000002 110.575 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.09 -52.16 10.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.731 -0.668 . . . . 44.520000000000003 111.315 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.694 ' HG2' HD13 ' A' ' 69' ' ' ILE . 43.5 mt-10 -63.26 -36.12 82.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 71.430000000000007 111.096 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 t -66.48 -32.22 73.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.162 -0.472 . . . . 53.130000000000003 110.305 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.535 ' O ' HD23 ' A' ' 49' ' ' LEU . 4.0 t80 -76.18 -30.09 57.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.756 -0.461 . . . . 72.400000000000006 109.756 -177.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 31.1 tpp -62.8 -37.04 85.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.081 0.467 . . . . 71.25 110.699 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.565 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 27.3 m -60.17 -49.11 78.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.89 -0.595 . . . . 62.210000000000001 111.213 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -71.13 -27.17 63.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.893 0.378 . . . . 74.019999999999996 111.089 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -62.67 -37.57 86.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 74.109999999999999 110.432 173.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.565 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 46.2 mttt -63.9 -40.81 97.38 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.728 -0.214 . . . . 33.340000000000003 110.686 175.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -57.57 -51.26 70.2 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.511 0.672 . . . . 71.340000000000003 109.854 175.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.73 -44.95 94.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.153 -0.93 . . . . 63.140000000000001 111.477 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.11 83.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.456 -0.338 . . . . 55.219999999999999 111.457 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.84 -35.7 80.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.25 111.517 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.9 -28.41 25.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.526 -0.306 . . . . 70.040000000000006 111.667 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.44 -26.26 32.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.956 0.354 . . . . 54.229999999999997 111.956 -176.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.1 p -89.83 133.69 34.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.465 0.65 . . . . 71.239999999999995 111.757 -174.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.6 m -83.45 6.23 20.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.284 -0.871 . . . . 71.030000000000001 110.697 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.81 2.01 40.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.808 -0.633 . . . . 73.400000000000006 110.888 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.2 t70 73.66 -64.1 0.41 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.901 0.751 . . . . 73.140000000000001 112.063 175.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.29 -32.57 68.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.907 0.384 . . . . 61.020000000000003 110.985 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.59 -132.16 4.81 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.648 -0.787 . . . . 64.010000000000005 111.864 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.9 168.57 24.1 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.049 -0.352 . . . . 52.229999999999997 110.049 -178.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.472 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 15.3 m -71.57 109.98 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.927 -0.397 . . . . 65.349999999999994 109.927 177.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 p -104.84 119.37 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.533 0.682 . . . . 70.049999999999997 111.487 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.82 130.2 50.93 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.114 -0.948 . . . . 42.149999999999999 108.456 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -146.44 154.47 41.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.375 0.607 . . . . 71.319999999999993 112.049 -173.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -124.29 142.3 51.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.908 -1.042 . . . . 75.010000000000005 110.043 175.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.694 HD13 ' HG2' ' A' ' 43' ' ' GLU . 45.6 mt -119.15 104.27 15.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 N-CA-C 108.039 -1.097 . . . . 64.5 108.039 174.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.756 ' HB3' ' HG2' ' A' ' 77' ' ' GLU . 40.8 tttm -115.29 110.11 18.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.881 0.848 . . . . 74.420000000000002 111.177 -168.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.799 ' HA ' HG12 ' A' ' 76' ' ' VAL . 4.3 m-20 -75.88 131.63 39.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 113.838 -1.528 . . . . 74.340000000000003 110.961 -175.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.4 mt -123.06 -170.6 2.14 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.088 -0.708 . . . . 53.340000000000003 109.088 173.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -95.82 101.3 12.97 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.873 -0.331 . . . . 54.229999999999997 110.47 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.94 0.09 68.92 Favored Glycine 0 C--O 1.235 0.187 0 C-N-CA 121.112 -0.566 . . . . 61.439999999999998 112.086 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -162.51 169.71 19.86 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.238 -0.653 . . . . 62.140000000000001 109.238 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.799 HG12 ' HA ' ' A' ' 71' ' ' ASP . 28.6 m -144.71 153.39 14.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 109.419 -0.585 . . . . 74.319999999999993 109.419 176.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.756 ' HG2' ' HB3' ' A' ' 70' ' ' LYS . 12.5 pt-20 -108.0 128.4 54.62 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.598 0.713 . . . . 72.430000000000007 110.302 174.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.665 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.1 tm? -102.98 111.13 23.32 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 108.049 -1.093 . . . . 74.450000000000003 108.049 174.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -118.29 108.81 15.56 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.018 -0.537 . . . . 71.209999999999994 110.13 -173.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.77 155.76 37.33 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.978 0.418 . . . . 52.310000000000002 111.384 -177.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -139.88 114.17 9.1 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.466 -0.788 . . . . 70.5 109.546 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -105.6 112.55 25.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.116 -0.493 . . . . 75.019999999999996 110.35 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.472 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 5.4 m -88.22 107.2 18.67 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.729 0.3 . . . . 64.409999999999997 110.268 179.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.441 ' HE2' ' HB3' ' A' ' 30' ' ' SER . 98.5 m-85 -91.97 165.73 13.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 71.420000000000002 110.582 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.9 m -79.55 -29.22 41.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.264 -0.426 . . . . 65.129999999999995 111.276 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.411 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 56.1 m -124.34 164.74 19.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.275 -0.42 . . . . 71.120000000000005 110.24 -178.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -80.52 -32.47 36.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.525 -0.307 . . . . 74.519999999999996 111.132 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.511 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.86 -38.18 69.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 110.92 178.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -62.16 -34.07 75.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.885 -0.598 . . . . 75.150000000000006 110.386 -179.516 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.658 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 11.5 tmm? -70.21 -50.76 36.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 74.109999999999999 110.262 -177.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.615 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 2.6 pt -67.19 -41.23 86.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.317 -0.401 . . . . 72.409999999999997 111.844 -177.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 88' ' ' ALA . 40.9 pt -66.63 -30.39 49.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 120.77 -0.372 . . . . 74.099999999999994 110.573 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.686 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 19.5 t80 -63.43 -48.45 77.71 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.387 -0.597 . . . . 70.120000000000005 109.387 176.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.461 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 58.0 mm-40 -55.47 -38.42 69.07 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.574 -0.739 . . . . 60.329999999999998 111.053 175.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.917 HD22 ' HB ' ' A' ' 19' ' ' ILE . 78.5 mt -66.16 -53.73 33.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.882 -0.599 . . . . 73.219999999999999 110.602 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.6 p -59.19 -37.53 77.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 72.219999999999999 112.21 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 80.8 mt -60.09 -49.09 79.0 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.121 0.486 . . . . 74.329999999999998 110.514 178.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.461 ' NH1' ' HB3' ' A' ' 94' ' ' GLU . 76.4 mtt85 -69.1 -33.36 73.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.477 -0.783 . . . . 73.319999999999993 111.22 -178.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.467 ' O ' HD23 ' A' ' 102' ' ' LEU . 22.9 m -77.36 -34.85 54.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.933 -0.576 . . . . 62.109999999999999 111.718 -175.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 34.1 tp -79.0 -41.88 27.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.917 0.389 . . . . 74.540000000000006 110.974 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.47 33.19 1.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.124 -0.489 . . . . 72.530000000000001 110.475 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 99' ' ' SER . 4.6 pp -59.91 -19.52 52.07 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.657 -0.701 . . . . 72.400000000000006 112.772 -175.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.05 39.25 0.37 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.491 0.552 . . . . 74.349999999999994 112.491 -174.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -117.87 132.62 56.4 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.406 -0.59 . . . . 72.219999999999999 109.406 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -79.54 141.56 36.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.008 0.433 . . . . 74.310000000000002 110.792 -176.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -77.36 -9.51 58.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.986 -0.552 . . . . 73.120000000000005 110.876 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -86.78 7.94 24.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.361 0.601 . . . . 74.439999999999998 110.156 174.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -131.02 148.57 52.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.46 -0.791 . . . . 74.299999999999997 109.249 177.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.186 -0.911 . . . . 74.019999999999996 110.075 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 120.815 0.34 . . . . 70.400000000000006 110.316 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.72 -46.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.71 -0.677 . . . . 75.230000000000004 109.602 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -78.51 115.94 18.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.377 -0.829 . . . . 62.039999999999999 109.981 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -150.93 95.09 2.15 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.658 -0.497 . . . . 73.120000000000005 109.658 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -138.73 122.3 17.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.145 -0.48 . . . . 73.319999999999993 110.204 -174.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.7 m -107.33 74.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.825 0.821 . . . . 73.129999999999995 110.613 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 p -97.98 121.85 48.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.49 -0.777 . . . . 54.43 110.897 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -101.98 154.76 18.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.111 -0.495 . . . . 52.32 109.887 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.49 ' HD2' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -152.01 120.2 6.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.12 -0.491 . . . . 72.420000000000002 111.192 -175.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.7 p -169.62 32.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.976 -0.556 . . . . 61.520000000000003 111.165 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.4 m -80.14 86.03 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.365 -0.38 . . . . 73.140000000000001 110.408 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.6 m -152.33 100.74 2.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.292 -0.413 . . . . 74.129999999999995 110.942 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -164.99 133.29 3.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 72.25 110.181 176.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.3 116.94 2.58 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.652 -0.785 . . . . 62.509999999999998 112.573 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -146.99 76.85 1.44 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.448 -0.575 . . . . 65.329999999999998 109.448 175.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -134.89 94.95 3.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.921 -0.581 . . . . 42.149999999999999 110.515 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.5 pt -134.11 166.92 27.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.824 -0.626 . . . . 73.519999999999996 110.226 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -100.75 152.28 20.67 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.254 -0.647 . . . . 72.519999999999996 109.254 174.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.0 pt -87.55 92.14 3.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-O 121.595 0.712 . . . . 70.319999999999993 110.442 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -118.96 37.78 3.08 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.203 -0.908 . . . . 24.300000000000001 112.127 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.8 m -74.64 90.86 2.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.224 0.535 . . . . 64.150000000000006 109.905 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.9 m -84.67 169.67 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.471 -0.786 . . . . 62.030000000000001 110.977 -177.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.2 mm -115.6 -85.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.626 -0.509 . . . . 73.299999999999997 109.626 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -149.59 -93.96 0.07 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.888 0.375 . . . . 63.119999999999997 110.284 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 175.31 144.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.401 -0.818 . . . . 61.140000000000001 109.02 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -173.19 -78.32 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.123 0.487 . . . . 73.450000000000003 110.308 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -131.85 169.07 16.77 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.61 -0.723 . . . . 74.120000000000005 109.621 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 m -112.55 13.91 20.11 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.202 0.525 . . . . 51.140000000000001 110.554 -175.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 83' ' ' THR . 41.6 m -95.1 128.81 42.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.728 -0.669 . . . . 74.5 110.408 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.673 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 9.2 t -97.61 104.3 16.32 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.277 -0.638 . . . . 62.439999999999998 109.277 177.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -97.69 119.93 37.15 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.582 -0.735 . . . . 72.25 110.543 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -126.83 119.51 27.0 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.123 -0.49 . . . . 60.140000000000001 109.819 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 t -126.19 113.57 17.19 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.857 -0.611 . . . . 61.100000000000001 109.771 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -138.69 150.67 46.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.414 -0.357 . . . . 60.109999999999999 110.138 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -105.14 129.59 53.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.771 0.32 . . . . 74.349999999999994 110.599 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -120.16 171.12 8.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.889 -0.596 . . . . 71.349999999999994 110.677 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.39 -54.77 23.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.395 . . . . 65.230000000000004 111.426 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.535 ' OG1' ' HG2' ' A' ' 41' ' ' GLU . 62.5 p -128.3 165.94 19.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.987 0.422 . . . . 74.109999999999999 111.264 -178.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.537 ' HG3' HG21 ' A' ' 69' ' ' ILE . 28.1 ttt-85 -63.03 -28.09 69.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.564 -0.744 . . . . 73.299999999999997 109.716 178.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.67 -50.15 73.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.197 -0.911 . . . . 53.25 110.337 175.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.535 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 14.1 mm-40 -59.93 -28.52 67.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.108 -0.951 . . . . 64.409999999999997 110.999 -178.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.455 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -71.67 -52.05 19.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.643 -0.708 . . . . 44.409999999999997 111.179 -177.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.02 -33.12 73.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.868 0.366 . . . . 73.200000000000003 110.693 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.9 m -67.56 -27.77 67.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 74.310000000000002 111.034 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.546 ' O ' HD23 ' A' ' 49' ' ' LEU . 88.7 t80 -69.92 -35.69 74.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.129 0.49 . . . . 65.150000000000006 110.172 178.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 38.1 ttm -72.35 -18.9 61.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.003 -0.544 . . . . 73.120000000000005 111.245 -177.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 m -56.67 -49.16 75.9 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 120.913 0.387 . . . . 72.420000000000002 111.109 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -73.51 -29.75 62.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.092 0.472 . . . . 63.140000000000001 110.82 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.0 mm? -66.51 -40.79 89.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.922 -0.581 . . . . 71.040000000000006 110.591 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -38.63 84.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 62.299999999999997 111.314 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.59 -45.73 91.55 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.44 0.638 . . . . 72.450000000000003 110.069 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -68.79 -42.0 77.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.146 -0.933 . . . . 74.120000000000005 111.268 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.67 75.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.384 -0.371 . . . . 72.420000000000002 111.635 -178.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.23 -36.15 81.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 64.319999999999993 111.147 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.67 -33.55 21.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.949 0.404 . . . . 73.109999999999999 111.163 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.36 -27.43 67.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.823 -0.626 . . . . 51.5 112.122 -176.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.6 ' HB3' ' CD1' ' A' ' 84' ' ' PHE . 48.7 p -115.74 139.81 49.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.751 0.31 . . . . 72.510000000000005 110.914 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.9 m -92.14 64.14 4.48 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.211 0.529 . . . . 71.140000000000001 109.819 174.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.74 -23.92 4.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.746 -0.661 . . . . 71.030000000000001 110.934 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 74.26 -62.71 0.45 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.583 0.753 . . . . 70.010000000000005 111.572 177.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -94.51 19.67 9.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.994 -0.548 . . . . 72.25 111.839 -172.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.66 150.14 13.17 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.769 -0.729 . . . . 63.219999999999999 113.407 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.99 179.1 5.34 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.954 -0.387 . . . . 40.130000000000003 109.954 176.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 1.13 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 38.9 m -74.11 87.11 1.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.898 0.38 . . . . 65.540000000000006 110.198 177.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 p -100.57 115.73 42.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.602 0.715 . . . . 73.340000000000003 111.255 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.72 100.79 9.23 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.323 -0.853 . . . . 53.25 108.929 173.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -125.12 153.16 43.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.829 0.347 . . . . 75.519999999999996 110.648 -174.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.97 153.9 26.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.825 -0.625 . . . . 72.109999999999999 110.299 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.537 HG21 ' HG3' ' A' ' 39' ' ' ARG . 54.0 mt -114.0 121.76 66.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.465 -0.789 . . . . 75.129999999999995 109.368 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.864 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 17.6 tppt? -92.19 110.67 22.06 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.467 0.651 . . . . 75.230000000000004 110.253 177.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.42 ' HA ' HG12 ' A' ' 76' ' ' VAL . 2.6 m-20 -76.06 113.89 14.08 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.62 -1.173 . . . . 72.200000000000003 110.235 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 mt -120.96 179.27 4.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.82 0.343 . . . . 70.409999999999997 110.387 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.17 104.92 11.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.034 -0.53 . . . . 75.120000000000005 111.152 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.43 -12.59 68.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.035 -0.602 . . . . 75.030000000000001 112.932 174.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -153.17 171.13 18.94 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.718 -0.475 . . . . 72.019999999999996 109.718 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 71' ' ' ASP . 27.1 m -138.14 153.56 27.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.378 -0.374 . . . . 73.519999999999996 110.6 175.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.864 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 40.7 tt0 -102.76 114.18 28.22 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.893 -0.594 . . . . 73.109999999999999 109.709 175.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.503 HD23 HG12 ' A' ' 69' ' ' ILE . 3.2 tm? -93.63 109.37 21.01 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.085 -1.08 . . . . 63.200000000000003 108.085 174.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -123.83 112.95 17.89 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.836 -0.62 . . . . 64.319999999999993 109.463 -173.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.12 140.04 47.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.962 0.41 . . . . 71.219999999999999 111.794 -174.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.05 107.95 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.542 -0.754 . . . . 74.129999999999995 110.563 175.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -96.75 112.71 24.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.536 -0.542 . . . . 75.219999999999999 109.536 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 1.13 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 9.5 m -97.41 113.44 25.11 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.892 0.377 . . . . 50.229999999999997 110.093 -175.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.6 ' CD1' ' HB3' ' A' ' 57' ' ' SER . 86.9 m-85 -98.33 170.51 8.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.825 -0.625 . . . . 74.25 110.286 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.9 m -67.78 -41.67 82.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.33 -0.396 . . . . 25.219999999999999 110.879 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 38.3 m -130.37 155.15 46.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.284 -0.416 . . . . 73.230000000000004 110.053 -178.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.565 ' O ' HG12 ' A' ' 91' ' ' ILE . 33.1 tt0 -64.49 -27.98 69.35 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.077 -0.249 . . . . 63.039999999999999 110.549 178.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.84 -48.3 64.02 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.344 0.402 . . . . 64.25 110.54 176.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' A' ' 89' ' ' GLU . 1.6 mm-40 -65.05 -30.21 71.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.405 0.621 . . . . 74.409999999999997 110.146 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.673 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 13.4 tmm? -74.89 -48.71 23.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.489 -0.778 . . . . 65.420000000000002 110.621 -176.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 87' ' ' GLN . 13.2 pt -69.04 -42.8 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.45 -0.341 . . . . 71.319999999999993 111.505 -178.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.454 ' HA ' HD12 ' A' ' 95' ' ' LEU . 2.6 pp -62.3 -29.51 46.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-O 120.997 0.427 . . . . 74.219999999999999 110.369 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.518 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 57.0 t80 -62.26 -51.09 69.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.741 -0.663 . . . . 72.349999999999994 110.772 177.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.58 -28.43 56.2 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.955 -0.298 . . . . 75.530000000000001 110.589 -177.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 92' ' ' ILE . 75.7 mt -59.55 -45.99 90.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.975 0.416 . . . . 73.010000000000005 110.128 172.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.0 m -59.27 -39.42 82.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.894 -0.594 . . . . 71.129999999999995 110.479 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 83.3 mt -61.57 -48.43 80.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 61.229999999999997 110.395 177.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -64.66 -37.98 89.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.692 . . . . 64.209999999999994 111.649 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.4 m -78.95 -25.59 43.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.181 -0.463 . . . . 44.100000000000001 111.674 -176.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.4 tp -93.13 -53.22 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.658 0.266 . . . . 63.100000000000001 110.916 -178.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.93 45.96 0.86 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.172 0.51 . . . . 72.310000000000002 110.226 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 43.8 mt -60.06 -67.06 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.514 -0.766 . . . . 61.520000000000003 110.813 176.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 58.62 -78.42 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.885 0.74 . . . . 64.540000000000006 110.98 -175.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -154.79 56.81 0.68 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.457 0.646 . . . . 74.239999999999995 110.655 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -107.63 96.36 6.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.204 0.526 . . . . 65.099999999999994 110.559 178.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -116.01 -9.26 11.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.415 -0.812 . . . . 73.409999999999997 110.36 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -77.14 -7.16 55.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.977 -0.556 . . . . 73.420000000000002 112.216 -177.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 -140.25 140.83 35.86 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.973 -0.38 . . . . 75.140000000000001 109.973 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 . . . . . 0 C--O 1.249 1.04 0 N-CA-C 109.053 -0.721 . . . . 75.5 109.053 173.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.206 -0.294 . . . . 72.349999999999994 110.206 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.53 101.27 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.937 0.399 . . . . 63.329999999999998 110.864 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -101.26 -64.33 1.06 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.888 -0.596 . . . . 71.439999999999998 109.955 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.1 tttm 63.88 101.32 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.542 0.687 . . . . 71.239999999999995 111.555 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -108.99 156.93 19.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.731 -0.668 . . . . 75.340000000000003 110.794 -177.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.5 p -135.28 145.53 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.477 -0.329 . . . . 74.129999999999995 110.2 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.6 t -111.91 116.45 52.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.685 0.279 . . . . 71.099999999999994 110.958 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -151.75 110.31 3.8 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.453 -0.339 . . . . 73.120000000000005 110.091 174.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -91.89 -61.73 1.57 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.822 -0.436 . . . . 65.530000000000001 109.822 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.2 t -166.64 133.01 2.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 72.140000000000001 110.108 177.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.0 t -91.62 103.93 16.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.09 0.471 . . . . 55.350000000000001 110.267 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t -106.81 114.48 28.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 65.219999999999999 110.146 177.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.42 ' HB2' ' HE3' ' A' ' 13' ' ' LYS . 36.5 ttmt -160.32 156.37 26.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.189 -0.459 . . . . 64.319999999999993 110.128 -176.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.74 7.84 11.48 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.718 -0.753 . . . . 72.430000000000007 112.141 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 t -102.01 38.89 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.325 0.583 . . . . 70.200000000000003 109.881 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.05 143.52 20.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.774 -0.648 . . . . 63.229999999999997 110.782 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.0 tt -82.94 121.41 35.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.077 -0.712 . . . . 62.310000000000002 109.077 174.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -143.1 166.97 23.22 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.168 -0.469 . . . . 65.329999999999998 110.222 -173.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.689 HG13 ' HB3' ' A' ' 95' ' ' LEU . 42.3 mm -95.03 -24.04 4.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.155 0.503 . . . . 54.119999999999997 109.955 179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.96 -21.1 46.29 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.011 -0.614 . . . . 75.109999999999999 111.795 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.4 t -134.91 142.92 46.67 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.829 -0.434 . . . . 71.109999999999999 109.829 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.7 t -130.49 135.99 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.182 -0.463 . . . . 55.539999999999999 109.872 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.9 tt -61.6 145.81 12.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.471 -0.331 . . . . 72.209999999999994 110.195 176.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -52.49 -69.84 0.1 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.177 -0.465 . . . . 72.239999999999995 111.889 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -168.98 169.31 9.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.449 -0.341 . . . . 52.409999999999997 110.368 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -174.7 -160.37 0.09 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.513 -1.292 . . . . 62.32 107.513 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.426 ' C ' HD22 ' A' ' 27' ' ' ASN . 0.3 OUTLIER -88.95 -171.89 3.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.681 0.277 . . . . 51.520000000000003 110.803 179.135 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 62.8 m -92.2 -20.95 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.698 0.285 . . . . 63.530000000000001 111.454 -174.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 39.0 m -85.61 127.41 34.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.98 0.419 . . . . 73.409999999999997 110.482 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.753 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 15.2 t -97.22 105.54 17.71 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.509 -0.552 . . . . 73.530000000000001 109.509 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 80' ' ' ALA . 48.6 mtmt -109.9 149.1 30.38 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.381 0.61 . . . . 74.349999999999994 111.302 176.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -152.39 124.3 7.98 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.972 -1.013 . . . . 51.219999999999999 109.627 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 13.4 m -124.59 108.89 12.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.479 -0.328 . . . . 52.109999999999999 110.229 -178.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 34' ' ' ARG . 21.6 ttt85 -127.51 145.41 50.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.894 0.378 . . . . 53.200000000000003 111.415 -177.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -82.52 133.4 35.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.558 -0.747 . . . . 74.540000000000006 109.826 176.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.444 ' HE2' ' HB3' ' A' ' 78' ' ' LEU . 84.6 m-85 -120.21 157.64 28.67 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.154 -0.475 . . . . 73.030000000000001 110.106 176.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.74 -49.46 68.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.131 -0.486 . . . . 75.239999999999995 111.08 -178.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 42.0 p -124.2 160.15 28.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.15 -0.477 . . . . 62.299999999999997 110.126 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.602 ' HA ' HG21 ' A' ' 76' ' ' VAL . 17.2 ttt180 -63.81 -25.99 68.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.957 0.408 . . . . 75.340000000000003 110.127 176.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.81 -47.88 83.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.941 -0.572 . . . . 71.400000000000006 110.541 174.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 36' ' ' PHE . 38.2 mm-40 -52.72 -33.09 46.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.198 -0.91 . . . . 62.219999999999999 111.295 177.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.482 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -75.41 -53.05 9.34 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.082 -0.508 . . . . 75.030000000000001 111.45 -176.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.95 -33.13 74.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.402 -0.363 . . . . 62.450000000000003 111.387 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -69.2 -30.05 68.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.913 0.387 . . . . 64.140000000000001 110.398 177.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.565 ' O ' HD23 ' A' ' 49' ' ' LEU . 80.9 t80 -71.02 -42.57 69.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 75.150000000000006 109.881 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.404 ' HE2' HD11 ' A' ' 78' ' ' LEU . 40.1 tpp -61.76 -24.3 66.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.782 -0.645 . . . . 74.319999999999993 111.391 -179.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.2 m -58.34 -49.85 75.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.388 -0.369 . . . . 64.329999999999998 111.246 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HE2' HD23 ' A' ' 100' ' ' LEU . 6.8 ptpp? -71.46 -29.52 64.95 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.884 -0.326 . . . . 63.240000000000002 110.807 -178.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 45' ' ' PHE . 2.9 mm? -58.29 -43.62 88.14 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.94 0.4 . . . . 71.230000000000004 110.499 178.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -60.37 -49.13 78.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.822 -0.626 . . . . 73.540000000000006 111.348 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -69.66 -36.24 75.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.068 -0.515 . . . . 72.349999999999994 111.091 -176.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.3 mt -65.34 -35.63 81.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.997 -0.547 . . . . 74.319999999999993 111.197 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.94 -37.48 86.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.148 0.499 . . . . 65.150000000000006 110.252 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.585 ' O ' ' HA ' ' A' ' 58' ' ' SER . . . -67.75 -29.81 69.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.611 -0.722 . . . . 73.540000000000006 110.991 177.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.65 -33.64 35.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.377 -0.374 . . . . 75.439999999999998 111.135 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.08 -57.07 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 55.030000000000001 111.86 -176.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.494 ' HG ' ' HD1' ' A' ' 84' ' ' PHE . 44.6 m -104.29 -2.28 25.82 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.112 0.412 . . . . 62.409999999999997 112.112 -175.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.585 ' HA ' ' O ' ' A' ' 54' ' ' ALA . 54.7 m 69.78 -56.4 0.57 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.829 0.706 . . . . 71.420000000000002 110.263 -174.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.619 ' HB1' ' HA2' ' A' ' 62' ' ' GLY . . . 71.92 -57.75 0.61 Allowed 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.969 0.908 . . . . 61.439999999999998 112.454 174.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.8 t70 60.68 -80.9 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.845 0.715 . . . . 64.519999999999996 110.594 -174.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -70.12 -34.46 73.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.287 -0.635 . . . . 74.129999999999995 109.287 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.619 ' HA2' ' HB1' ' A' ' 59' ' ' ALA . . . 123.75 127.84 3.26 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.54 -0.838 . . . . 74.310000000000002 113.273 173.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.24 157.79 37.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.203 -0.666 . . . . 75.219999999999999 109.203 170.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.824 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 16.4 m -58.95 107.17 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.996 0.427 . . . . 73.230000000000004 110.79 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.63 123.96 72.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.345 0.593 . . . . 63.130000000000003 111.47 -177.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . . . -124.88 139.1 54.14 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.37 -0.832 . . . . 72.219999999999999 109.378 174.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -140.52 140.5 35.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.882 0.372 . . . . 73.439999999999998 110.732 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.884 ' HB2' ' HB2' ' A' ' 79' ' ' ASP . 95.9 mttt -128.63 140.65 51.66 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.837 -0.62 . . . . 73.109999999999999 110.405 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.3 mt -126.35 103.96 12.2 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 CA-C-N 115.05 -0.977 . . . . 61.439999999999998 108.493 174.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -96.29 121.06 37.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.13 0.491 . . . . 73.519999999999996 110.895 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.497 ' HA ' HG12 ' A' ' 76' ' ' VAL . 14.0 m-20 -79.12 97.2 6.07 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.025 -0.989 . . . . 55.310000000000002 109.253 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 85.2 mt -92.98 -177.02 4.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.899 0.38 . . . . 73.340000000000003 110.051 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.17 101.97 14.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.947 0.403 . . . . 75.209999999999994 110.595 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.39 -27.63 14.79 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 115.844 -0.616 . . . . 52.100000000000001 112.311 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 11.1 pt20 -138.3 -179.82 6.02 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.83 -0.433 . . . . 70.099999999999994 109.83 -178.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.602 HG21 ' HA ' ' A' ' 39' ' ' ARG . 31.5 m -138.27 157.93 31.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 110.012 -0.366 . . . . 74.25 110.012 175.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -116.87 122.95 45.83 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.909 -0.404 . . . . 75.049999999999997 109.909 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.482 HD23 ' HB1' ' A' ' 42' ' ' ALA . 3.5 tm? -96.52 120.37 36.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.323 -0.853 . . . . 73.409999999999997 109.55 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.884 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 14.5 m-20 -107.95 116.15 31.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.028 -0.533 . . . . 72.549999999999997 110.498 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.629 ' O ' ' HA ' ' A' ' 31' ' ' LYS . . . -109.89 128.37 55.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.237 -0.438 . . . . 72.129999999999995 110.021 175.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . . . -133.47 103.76 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.861 0.362 . . . . 73.430000000000007 110.662 178.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -113.14 131.32 55.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.3 -0.409 . . . . 65.230000000000004 110.61 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.824 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 18.7 m -108.18 109.77 21.25 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.129 -0.323 . . . . 54.329999999999998 110.129 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.494 ' HD1' ' HG ' ' A' ' 57' ' ' SER . 69.7 m-85 -100.26 171.69 7.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 110.674 -178.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.1 m -86.24 -44.78 11.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.232 -0.44 . . . . 72.540000000000006 110.533 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.513 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 27.8 m -112.1 145.1 40.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.133 -0.485 . . . . 73.329999999999998 110.31 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.526 ' O ' HG12 ' A' ' 91' ' ' ILE . 18.6 tt0 -68.68 -28.45 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 74.230000000000004 110.369 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.481 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -57.07 -36.36 70.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.906 -0.588 . . . . 52.329999999999998 110.622 175.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.513 ' HG3' ' HB2' ' A' ' 86' ' ' CYS . 30.2 mt-10 -73.91 -34.2 64.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.939 -0.573 . . . . 71.310000000000002 110.038 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.753 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 14.4 tmm? -67.84 -48.97 64.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.794 -0.639 . . . . 64.129999999999995 110.416 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 87' ' ' GLN . 18.8 pt -66.39 -45.1 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.405 -0.361 . . . . 71.129999999999995 111.877 -177.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 88' ' ' ALA . 40.3 pt -63.28 -30.74 50.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-O 120.981 0.42 . . . . 62.399999999999999 110.462 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.431 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 91.1 t80 -66.85 -52.03 48.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.794 -0.639 . . . . 71.409999999999997 111.124 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.411 ' HA ' ' HG ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -73.73 -28.38 61.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.685 0.278 . . . . 71.430000000000007 111.142 -175.387 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.689 ' HB3' HG13 ' A' ' 19' ' ' ILE . 74.5 mt -69.31 -40.55 77.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.774 0.321 . . . . 73.340000000000003 110.699 176.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.8 m -68.03 -23.49 64.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.538 -0.301 . . . . 33.350000000000001 111.319 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 84.7 mt -54.81 -51.86 64.5 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.829 0.347 . . . . 64.109999999999999 111.133 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -37.36 49.67 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.694 -0.402 . . . . 75.430000000000007 111.311 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.9 t -71.39 -12.46 61.43 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.992 0.367 . . . . 62.310000000000002 111.992 -174.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.411 HD23 ' HE2' ' A' ' 48' ' ' LYS . 21.0 tp -76.43 -50.28 14.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.876 0.369 . . . . 73.109999999999999 110.233 178.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.38 -33.9 55.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.002 -0.545 . . . . 64.409999999999997 110.081 178.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.0 mp -95.95 74.61 3.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.686 -0.688 . . . . 65.549999999999997 110.047 178.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.89 -31.81 73.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.435 -0.802 . . . . 75.540000000000006 109.822 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -84.54 101.65 12.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.542 -0.754 . . . . 75.230000000000004 108.986 173.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -67.71 145.3 54.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.086 -0.506 . . . . 64.340000000000003 111.685 -176.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -102.62 142.76 33.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.579 -0.737 . . . . 73.299999999999997 109.436 176.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -120.55 40.77 3.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.027 0.442 . . . . 74.340000000000003 110.874 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -164.7 -74.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.831 -0.622 . . . . 74.140000000000001 109.919 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 . . . . . 0 C--O 1.249 1.074 0 N-CA-C 108.977 -0.749 . . . . 71.530000000000001 108.977 177.289 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 120.844 0.354 . . . . 72.099999999999994 110.359 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.84 113.99 4.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.03 -0.532 . . . . 50.439999999999998 110.434 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 84.5 mtp -81.29 105.27 12.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.066 -0.516 . . . . 73.340000000000003 109.687 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -88.54 66.69 8.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.243 0.544 . . . . 74.25 111.701 -173.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -114.17 3.5 15.22 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.042 -0.725 . . . . 64.0 109.042 172.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.6 m -63.04 129.67 26.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 114.864 -1.062 . . . . 64.299999999999997 111.642 -177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.7 p -145.36 138.26 21.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.908 -0.587 . . . . 72.310000000000002 109.984 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 4.8 t70 -129.99 -161.03 1.08 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.173 -0.677 . . . . 75.420000000000002 109.173 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.634 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 4.9 ttpm? 64.97 61.74 0.76 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.694 0.759 . . . . 74.25 109.017 -177.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.6 t -130.41 30.22 4.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.334 -0.848 . . . . 73.140000000000001 109.906 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.7 t -125.47 81.08 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.933 -0.766 . . . . 71.409999999999997 108.933 174.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.685 HG22 ' HG2' ' A' ' 13' ' ' LYS . 3.2 m -120.29 142.35 49.17 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.575 -0.739 . . . . 71.510000000000005 110.616 -174.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.91 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 10.5 mmpt? 66.37 -159.42 0.25 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.835 -0.621 . . . . 71.049999999999997 111.51 172.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.25 20.17 3.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.07 -0.586 . . . . 51.119999999999997 112.0 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.9 t -93.28 90.52 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.679 -0.489 . . . . 75.519999999999996 109.679 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.8 120.06 21.09 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.964 -0.562 . . . . 71.140000000000001 110.694 -178.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.1 pt -121.44 156.42 25.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.991 -0.549 . . . . 70.340000000000003 110.184 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -117.81 131.58 56.55 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.438 -0.346 . . . . 53.100000000000001 110.481 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.473 ' CG1' ' HA ' ' A' ' 95' ' ' LEU . 37.0 mm -67.44 -33.78 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.235 0.54 . . . . 74.400000000000006 109.967 176.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.51 70.35 1.35 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.851 -0.69 . . . . 62.299999999999997 111.62 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -78.71 52.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.601 0.715 . . . . 62.240000000000002 110.626 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.2 p -111.24 10.84 8.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 122.22 1.009 . . . . 73.129999999999995 108.939 176.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.5 tt -91.29 158.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.232 -1.349 . . . . 70.5 109.661 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.78 115.54 2.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.22 0.533 . . . . 71.420000000000002 111.744 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.5 ' H ' HD22 ' A' ' 25' ' ' ASN . 0.1 OUTLIER -78.38 56.65 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.325 -0.852 . . . . 62.340000000000003 110.856 178.562 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -60.01 -68.2 0.31 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.129 -0.942 . . . . 55.420000000000002 112.468 -173.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.477 ' C ' HD22 ' A' ' 27' ' ' ASN . 0.2 OUTLIER -112.72 172.42 6.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.097 0.475 . . . . 71.430000000000007 111.855 -174.421 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 87' ' ' GLN . 62.0 m -103.04 5.51 38.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.582 -0.735 . . . . 63.119999999999997 110.131 178.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.52 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 52.3 m -97.88 124.35 42.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.68 -0.691 . . . . 73.129999999999995 110.647 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.498 ' HB2' ' HG2' ' A' ' 90' ' ' MET . 47.7 t -99.06 135.76 39.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.904 -0.406 . . . . 71.019999999999996 109.904 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -106.31 112.6 25.68 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.167 -0.469 . . . . 72.310000000000002 110.263 177.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.633 ' O ' ' HA ' ' A' ' 79' ' ' ASP . 93.5 t80 -100.07 118.31 36.17 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.15 -0.685 . . . . 75.5 109.15 176.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 19.6 m -133.04 106.65 7.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.062 0.458 . . . . 71.400000000000006 110.213 -179.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.98 139.36 48.62 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.155 -0.475 . . . . 61.340000000000003 109.866 -178.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -93.03 139.13 30.85 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.902 -0.59 . . . . 74.5 110.143 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -131.04 165.65 22.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.507 -0.315 . . . . 64.049999999999997 110.337 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.95 -55.62 24.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.04 -0.527 . . . . 62.43 111.541 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.431 ' OG1' ' HG2' ' A' ' 41' ' ' GLU . 70.2 p -120.86 159.29 25.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.357 -0.383 . . . . 70.430000000000007 110.106 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.837 ' HG3' HG21 ' A' ' 69' ' ' ILE . 20.7 ttt180 -60.87 -29.32 69.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.268 0.556 . . . . 63.240000000000002 110.092 175.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.41 -45.67 93.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.361 -0.836 . . . . 74.25 110.428 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 33.2 mm-40 -57.74 -32.68 67.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.693 -0.685 . . . . 73.209999999999994 110.504 175.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.88 -53.17 8.85 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.577 -0.738 . . . . 51.399999999999999 111.702 -174.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.565 ' HG2' HG12 ' A' ' 69' ' ' ILE . 40.0 mt-10 -69.02 -21.02 64.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 50.520000000000003 111.363 -176.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.8 m -79.04 -28.05 43.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.493 -0.321 . . . . 72.319999999999993 110.52 177.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.486 ' O ' HD23 ' A' ' 49' ' ' LEU . 22.1 t80 -74.12 -25.84 60.0 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.466 -0.568 . . . . 74.439999999999998 109.466 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.481 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 50.5 tpp -65.35 -29.73 70.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.593 -0.731 . . . . 74.0 110.764 178.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.582 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 3.1 m -56.5 -49.94 73.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.042 0.449 . . . . 65.0 111.205 -178.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.418 ' HB2' ' HE3' ' A' ' 48' ' ' LYS . 16.5 ptmt -73.82 -27.02 60.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.062 -0.517 . . . . 74.430000000000007 110.883 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 45' ' ' PHE . 3.4 mm? -62.24 -37.51 85.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.467 -0.333 . . . . 74.25 110.63 174.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.582 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 35.5 mtpt -53.12 -51.22 62.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.121 0.486 . . . . 61.350000000000001 110.133 173.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -54.84 -51.44 65.88 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.345 -0.843 . . . . 54.119999999999997 110.773 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.11 -48.66 80.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.593 -0.73 . . . . 70.530000000000001 111.417 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.64 -43.83 92.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.535 -0.302 . . . . 72.530000000000001 111.267 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.36 71.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 54.310000000000002 111.305 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.7 -43.01 19.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.299 -0.41 . . . . 71.450000000000003 111.321 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.91 -47.89 76.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 64.340000000000003 111.297 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.511 ' HB3' ' HD2' ' A' ' 84' ' ' PHE . 79.4 p -89.88 133.1 34.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.262 -0.426 . . . . 73.030000000000001 110.263 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -75.31 14.59 0.55 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.139 0.495 . . . . 74.129999999999995 111.296 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.12 -30.18 62.18 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.169 -0.469 . . . . 51.329999999999998 109.777 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 70.62 -50.59 0.67 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.269 -0.878 . . . . 63.140000000000001 112.467 176.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.72 -30.5 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.12 0.485 . . . . 75.340000000000003 110.139 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.24 167.19 11.88 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.545 -0.752 . . . . 55.520000000000003 111.629 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.63 171.69 9.2 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.051 -0.351 . . . . 65.329999999999998 110.051 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.799 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 69.3 m -74.5 90.15 2.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.963 0.411 . . . . 70.430000000000007 110.092 176.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 3.4 p -101.39 116.42 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.628 0.728 . . . . 53.200000000000003 111.808 -175.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.79 96.75 7.8 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.172 -0.922 . . . . 43.43 108.682 170.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 31.8 p90 -106.84 152.86 23.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.001 0.429 . . . . 74.310000000000002 111.048 -173.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HG2' ' HB3' ' A' ' 79' ' ' ASP . 0.7 OUTLIER -144.63 148.8 34.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.648 -0.705 . . . . 75.030000000000001 109.781 178.237 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.837 HG21 ' HG3' ' A' ' 39' ' ' ARG . 4.0 mp -120.04 109.51 26.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 108.68 -0.859 . . . . 70.099999999999994 108.68 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.741 ' HB3' ' HB3' ' A' ' 77' ' ' GLU . 22.6 tptm -96.72 119.39 35.12 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.383 0.611 . . . . 53.43 111.047 -173.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.48 105.38 7.5 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.883 -1.053 . . . . 73.019999999999996 109.72 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 77' ' ' GLU . 94.5 mt -106.93 -175.75 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.258 0.551 . . . . 72.329999999999998 111.338 -176.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -92.77 100.84 13.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.403 -0.817 . . . . 73.409999999999997 110.502 -177.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.43 -7.04 78.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.022 -0.608 . . . . 51.409999999999997 112.479 178.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 12.6 pt20 -160.19 177.82 10.28 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.271 -0.64 . . . . 71.310000000000002 109.271 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.591 HG21 ' HA ' ' A' ' 39' ' ' ARG . 27.0 m -131.87 150.73 34.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.085 -0.339 . . . . 74.430000000000007 110.085 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.741 ' HB3' ' HB3' ' A' ' 70' ' ' LYS . 35.5 tt0 -105.52 113.91 27.77 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.901 -0.59 . . . . 74.439999999999998 109.706 179.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -98.38 114.19 26.43 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.514 -0.921 . . . . 74.530000000000001 108.514 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.633 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 19.7 t70 -128.0 135.82 50.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.112 -0.494 . . . . 44.240000000000002 110.212 -177.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.552 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -143.42 124.88 14.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.375 -0.375 . . . . 55.119999999999997 110.845 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.494 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -100.17 101.5 12.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.057 -0.52 . . . . 73.340000000000003 110.398 177.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' A' ' 29' ' ' THR . 97.1 m-85 -91.52 111.47 22.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.535 -0.302 . . . . 62.530000000000001 110.486 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.799 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 34.1 m -95.95 105.79 17.86 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.756 -0.461 . . . . 65.129999999999995 109.756 175.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.511 ' HD2' ' HB3' ' A' ' 57' ' ' SER . 94.7 m-85 -86.22 150.02 24.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.949 -0.569 . . . . 53.32 110.492 -178.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.3 m -64.48 -30.98 72.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.325 0.584 . . . . 61.109999999999999 110.544 177.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.584 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 55.8 m -126.81 142.79 51.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.799 -0.637 . . . . 73.109999999999999 109.627 177.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.422 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 29.0 tt0 -66.98 -28.85 68.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.721 0.295 . . . . 74.329999999999998 110.842 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.443 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -55.54 -39.13 70.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 52.439999999999998 110.827 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.584 ' HG2' ' HB2' ' A' ' 86' ' ' CYS . 2.1 mm-40 -67.2 -28.59 68.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.051 -0.522 . . . . 50.32 110.295 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.498 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 16.8 tmm? -75.61 -49.36 18.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.609 . . . . 72.340000000000003 110.646 -177.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 4.7 pt -66.58 -35.97 76.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.239 0.459 . . . . 70.019999999999996 112.239 -177.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 88' ' ' ALA . 36.8 pt -69.63 -29.71 42.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-O 121.166 0.508 . . . . 72.239999999999995 110.354 177.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.592 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 61.8 t80 -64.59 -46.57 82.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.565 -0.743 . . . . 75.409999999999997 109.956 176.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -56.78 -47.59 79.79 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.952 -0.567 . . . . 74.420000000000002 111.307 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 91' ' ' ILE . 70.5 mt -54.56 -40.22 68.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.671 -0.695 . . . . 71.150000000000006 110.957 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.6 m -83.31 -20.74 33.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.644 -0.707 . . . . 55.210000000000001 111.973 -173.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 79.9 mt -66.17 -52.53 47.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.841 0.353 . . . . 72.530000000000001 111.041 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -75.84 -29.36 58.57 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.685 -0.406 . . . . 74.439999999999998 111.04 -177.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.2 m -75.46 1.79 13.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.616 0.246 . . . . 72.439999999999998 111.447 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.1 tp -101.26 -52.27 3.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 75.010000000000005 111.269 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -111.83 1.6 16.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.467 -0.333 . . . . 64.450000000000003 111.422 -176.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 92.9 mt 68.51 -70.82 0.12 Allowed 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.79 0.836 . . . . 71.319999999999993 111.241 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 54.11 100.67 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 O-C-N 124.003 0.815 . . . . 63.530000000000001 112.294 -177.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -89.79 18.12 5.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.481 0.658 . . . . 65.239999999999995 109.578 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -72.6 118.14 15.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.548 -0.751 . . . . 73.120000000000005 110.444 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -76.83 166.88 22.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.654 -0.703 . . . . 64.010000000000005 110.428 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -90.97 120.63 32.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.676 -0.49 . . . . 73.219999999999999 109.676 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -63.46 144.74 56.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.095 0.474 . . . . 55.030000000000001 111.583 -177.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 39.2 m80 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.281 -0.866 . . . . 72.439999999999998 109.702 177.871 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.752 0.31 . . . . 62.109999999999999 110.362 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.442 ' HB1' ' HE2' ' A' ' 4' ' ' LYS . . . -165.08 87.65 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 44.350000000000001 110.378 178.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -99.11 40.08 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.482 -0.326 . . . . 62.329999999999998 110.667 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.442 ' HE2' ' HB1' ' A' ' 2' ' ' ALA . 0.0 OUTLIER -81.01 84.67 6.42 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.85 -0.426 . . . . 74.040000000000006 109.85 178.164 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -126.99 94.26 3.98 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.96 -0.564 . . . . 72.010000000000005 109.979 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 p -128.91 131.02 68.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.571 -0.74 . . . . 64.239999999999995 110.422 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 44.4 t -105.03 101.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.034 -0.53 . . . . 52.240000000000002 111.299 -178.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -155.47 123.28 5.7 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.195 -0.668 . . . . 74.239999999999995 109.195 171.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -167.71 50.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.209 0.528 . . . . 73.25 110.362 -176.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -141.61 94.97 2.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.073 0.463 . . . . 73.120000000000005 110.256 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.0 t -160.51 93.46 1.02 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.854 -0.795 . . . . 65.450000000000003 108.854 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.0 p -119.36 -40.75 2.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.898 -0.592 . . . . 75.209999999999994 111.636 -174.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -73.52 124.55 26.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.01 0.433 . . . . 74.0 111.203 -174.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.24 77.03 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.505 -0.77 . . . . 53.109999999999999 111.844 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -170.84 122.37 0.59 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.958 -0.386 . . . . 63.240000000000002 109.958 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.26 143.4 10.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.057 0.456 . . . . 62.229999999999997 111.469 -178.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.0 tt -101.87 140.29 20.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.778 -0.647 . . . . 72.319999999999993 109.42 174.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -148.96 151.81 35.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.353 -0.24 . . . . 45.43 110.353 -176.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.605 ' O ' HD13 ' A' ' 95' ' ' LEU . 48.3 mt -63.51 -54.3 34.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.567 -0.288 . . . . 73.340000000000003 110.604 176.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.77 50.14 4.05 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.395 -0.431 . . . . 53.539999999999999 113.397 -171.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -102.89 -2.61 27.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.703 0.763 . . . . 74.510000000000005 109.606 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.438 ' O ' HD11 ' A' ' 95' ' ' LEU . 61.4 t -125.02 120.58 58.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.843 -1.071 . . . . 72.340000000000003 109.479 176.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.703 ' HA ' HG21 ' A' ' 91' ' ' ILE . 8.9 tt -128.87 114.98 34.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.372 0.606 . . . . 42.240000000000002 111.277 -176.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -78.33 -28.05 47.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.487 -0.778 . . . . 75.540000000000006 110.166 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 42.64 34.91 0.61 Allowed 'General case' 0 N--CA 1.474 0.756 0 O-C-N 124.102 0.877 . . . . 64.0 111.726 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -79.49 -50.7 10.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.289 -0.869 . . . . 74.25 111.759 -174.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.526 ' HB3' ' H ' ' A' ' 29' ' ' THR . 19.0 m-80 -139.8 -170.61 2.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.679 -0.237 . . . . 74.450000000000003 110.547 -178.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.3 p -111.24 -7.99 14.4 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.264 -1.013 . . . . 64.420000000000002 108.264 167.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.526 ' H ' ' HB3' ' A' ' 27' ' ' ASN . 9.6 m -108.26 125.67 51.94 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.534 -1.212 . . . . 73.219999999999999 110.4 -178.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.405 ' OG ' ' HG3' ' A' ' 90' ' ' MET . 73.9 m -97.41 103.54 15.49 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.867 -0.606 . . . . 74.420000000000002 110.474 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.823 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -98.3 112.42 24.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.867 0.842 . . . . 61.409999999999997 109.311 175.14 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.43 ' HE2' ' HZ ' ' A' ' 45' ' ' PHE . 34.6 t80 -119.27 118.63 31.76 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.634 -1.166 . . . . 74.510000000000005 110.214 -176.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 1.9 m -111.2 131.11 55.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.854 -0.612 . . . . 63.219999999999999 110.523 -178.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 34' ' ' ARG . 1.1 mmp_? -137.19 144.55 42.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.257 -0.428 . . . . 71.219999999999999 110.671 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -96.7 139.09 33.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.309 -0.405 . . . . 73.409999999999997 110.697 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -137.35 174.93 10.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.203 -0.453 . . . . 72.040000000000006 109.79 177.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.27 -55.9 6.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.823 0.344 . . . . 74.019999999999996 111.255 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.5 159.57 34.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.758 0.313 . . . . 62.420000000000002 111.594 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 15.7 ptt-85 -61.0 -26.49 67.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.86 -0.609 . . . . 65.299999999999997 111.575 -178.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.97 -45.82 90.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.361 0.601 . . . . 73.010000000000005 110.134 175.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -57.05 -31.09 64.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.833 -1.076 . . . . 44.409999999999997 110.508 176.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.57 -37.44 59.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.434 -0.803 . . . . 72.010000000000005 110.89 -178.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 45.3 mt-10 -66.33 -41.48 89.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.388 . . . . 52.310000000000002 110.177 178.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.8 m -61.61 -30.64 70.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.056 -0.52 . . . . 51.439999999999998 110.786 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.512 ' O ' HD23 ' A' ' 49' ' ' LEU . 62.0 t80 -69.02 -40.12 78.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.219999999999999 109.87 178.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 33.1 tpp -66.65 -30.34 70.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.158 -0.474 . . . . 72.120000000000005 110.665 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.5 m -60.45 -45.57 93.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.966 -0.561 . . . . 44.439999999999998 111.279 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 3.0 ptpp? -73.18 -36.31 66.55 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.682 -0.407 . . . . 72.540000000000006 110.687 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 45' ' ' PHE . 4.1 mm? -64.54 -38.4 90.89 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.342 -0.39 . . . . 52.420000000000002 111.133 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HE3' HG11 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -52.76 -51.0 62.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 73.030000000000001 111.486 177.143 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -67.06 -36.43 82.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 75.400000000000006 111.066 -177.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 96.5 mt -66.92 -42.46 85.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.115 -0.493 . . . . 73.150000000000006 110.831 178.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.92 78.66 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.107 -0.497 . . . . 53.340000000000003 111.346 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.94 -33.81 76.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.112 -0.494 . . . . 74.25 111.35 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.55 -29.86 23.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.174 0.511 . . . . 60.119999999999997 111.084 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.9 -54.39 7.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.054 -0.521 . . . . 65.409999999999997 111.673 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.609 ' HA ' ' OE2' ' A' ' 89' ' ' GLU . 20.5 p -99.56 131.85 45.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 52.409999999999997 111.784 -174.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.7 m -97.98 41.68 1.12 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.655 -0.702 . . . . 72.420000000000002 111.3 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 62' ' ' GLY . . . -78.48 -53.08 7.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.044 -0.525 . . . . 60.439999999999998 110.898 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -166.1 -73.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 74.209999999999994 110.37 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -127.4 13.58 7.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.671 0.748 . . . . 74.230000000000004 109.323 175.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.464 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . 147.73 -161.19 28.5 Favored Glycine 0 N--CA 1.443 -0.889 0 CA-C-N 114.806 -1.088 . . . . 72.519999999999996 110.46 -175.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -114.03 167.24 10.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 117.005 0.402 . . . . 63.539999999999999 110.217 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.749 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 41.1 m -66.62 103.53 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.295 0.372 . . . . 71.319999999999993 110.063 177.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.408 HG11 ' HE3' ' A' ' 50' ' ' LYS . 3.6 p -100.33 115.75 42.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.532 0.682 . . . . 60.310000000000002 110.955 -176.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.22 96.48 6.15 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.305 -0.861 . . . . 72.129999999999995 109.008 172.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 20.4 p90 -118.36 143.39 46.67 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.212 -0.449 . . . . 72.519999999999996 110.96 -174.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -132.43 152.42 51.49 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.674 -0.693 . . . . 72.140000000000001 109.394 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.472 HG12 HD23 ' A' ' 78' ' ' LEU . 54.2 mt -118.16 114.55 45.55 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 CA-C-N 115.729 -0.669 . . . . 74.519999999999996 109.663 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -94.73 113.65 25.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.238 0.542 . . . . 74.319999999999993 109.987 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.711 ' HA ' HG12 ' A' ' 76' ' ' VAL . 12.2 t70 -90.03 97.26 11.08 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.138 -0.937 . . . . 73.040000000000006 109.33 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 46.4 mt -93.18 165.24 12.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.94 -0.573 . . . . 73.310000000000002 110.249 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -77.95 91.96 4.25 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.902 -0.59 . . . . 54.140000000000001 109.876 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.18 -32.49 3.24 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.925 -0.655 . . . . 63.539999999999999 112.42 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.503 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 14.0 pt20 -162.48 174.3 12.87 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.487 -0.56 . . . . 75.430000000000007 109.487 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.711 HG12 ' HA ' ' A' ' 71' ' ' ASP . 24.5 m -128.7 161.18 38.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 C-N-CA 120.984 -0.286 . . . . 73.019999999999996 110.582 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -123.52 124.74 43.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.182 -0.463 . . . . 70.209999999999994 110.463 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.472 HD23 HG12 ' A' ' 69' ' ' ILE . 3.4 tm? -94.09 114.33 26.46 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.344 -0.984 . . . . 64.409999999999997 108.344 173.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -119.51 102.15 8.45 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.034 -0.53 . . . . 70.25 109.983 -175.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' A' ' 31' ' ' LYS . . . -115.75 125.44 52.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.442 -0.345 . . . . 72.310000000000002 111.775 -174.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 31' ' ' LYS . . . -109.53 105.44 14.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.34 -0.391 . . . . 34.539999999999999 110.372 176.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -93.21 112.61 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 64.310000000000002 110.184 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.749 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 7.3 m -89.52 106.22 18.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.887 0.375 . . . . 71.349999999999994 110.15 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.524 ' HD1' ' HB3' ' A' ' 57' ' ' SER . 95.9 m-85 -91.7 153.31 19.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.969 -0.56 . . . . 62.539999999999999 111.135 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m -74.4 -21.15 59.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.818 -0.628 . . . . 61.149999999999999 110.752 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.604 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 61.1 m -133.95 150.51 51.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.972 -0.558 . . . . 72.040000000000006 110.127 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -71.44 -30.5 66.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.676 -0.238 . . . . 64.239999999999995 111.452 -178.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.405 ' O ' HG13 ' A' ' 91' ' ' ILE . . . -59.65 -33.92 72.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.714 0.293 . . . . 64.239999999999995 110.821 177.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.609 ' OE2' ' HA ' ' A' ' 57' ' ' SER . 4.2 mm-40 -63.1 -35.3 79.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.866 -0.606 . . . . 73.239999999999995 110.345 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.405 ' HG3' ' OG ' ' A' ' 30' ' ' SER . 37.1 ttp -61.23 -56.21 23.26 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.052 -0.522 . . . . 74.230000000000004 110.881 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.703 HG21 ' HA ' ' A' ' 23' ' ' ILE . 2.2 pt -66.34 -43.73 91.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.708 -0.678 . . . . 54.409999999999997 112.439 -174.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.8 pp -63.96 -30.28 49.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.795 -0.362 . . . . 74.109999999999999 110.877 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.767 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 14.7 t80 -71.98 -52.46 16.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.053 -0.521 . . . . 75.030000000000001 110.251 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.403 ' HB3' ' NH2' ' A' ' 98' ' ' ARG . 61.8 mm-40 -56.04 -45.98 79.02 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.908 -0.587 . . . . 73.340000000000003 111.478 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 19' ' ' ILE . 64.5 mt -65.67 -52.42 51.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.886 -0.597 . . . . 74.430000000000007 111.623 -175.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 m -50.04 -42.89 50.53 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 111.974 0.361 . . . . 70.400000000000006 111.974 172.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.767 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 62.0 mt -65.76 -34.06 77.3 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.645 0.26 . . . . 73.129999999999995 111.586 -177.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.403 ' NH2' ' HB3' ' A' ' 94' ' ' GLU . 8.3 tpp180 -58.51 -47.96 82.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 72.310000000000002 110.89 -175.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.0 m -90.75 13.89 14.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.133 -0.485 . . . . 73.129999999999995 110.858 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.5 tt -105.79 -39.16 6.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.203 -0.453 . . . . 71.030000000000001 110.848 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.426 ' C ' ' H ' ' A' ' 103' ' ' GLU . . . -58.8 -30.29 67.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.725 -0.67 . . . . 73.109999999999999 110.618 177.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 97.8 mt 65.16 -18.68 0.09 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.798 1.036 . . . . 74.239999999999995 113.798 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 101' ' ' ALA . 28.4 mm-40 -55.63 -54.67 41.22 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.759 0.314 . . . . 75.340000000000003 110.932 178.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -82.86 71.47 9.96 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.163 -0.68 . . . . 73.239999999999995 109.163 174.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -67.23 124.24 22.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.817 -0.629 . . . . 71.340000000000003 109.96 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -92.95 86.35 5.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.012 0.434 . . . . 73.129999999999995 110.792 -176.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -113.13 -2.3 14.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.727 0.775 . . . . 70.510000000000005 109.112 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -76.35 117.45 18.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.166 -0.925 . . . . 72.530000000000001 109.888 175.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 . . . . . 0 C--O 1.242 0.701 0 CA-C-O 118.578 -0.725 . . . . 73.340000000000003 109.624 175.358 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 121.107 0.48 . . . . 73.310000000000002 110.306 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.86 102.71 6.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.833 -0.622 . . . . 53.450000000000003 110.716 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -153.05 82.88 1.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.553 0.692 . . . . 61.140000000000001 110.28 177.03 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -144.07 95.0 2.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.321 0.581 . . . . 62.350000000000001 111.272 -175.46 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -171.26 120.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.797 -0.638 . . . . 62.509999999999998 109.764 177.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.4 m -93.51 137.81 21.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.216 0.532 . . . . 73.310000000000002 112.12 -173.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.5 p -118.65 114.29 44.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.542 -0.754 . . . . 55.420000000000002 110.141 175.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -167.86 124.21 1.08 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.937 -0.574 . . . . 75.140000000000001 111.274 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -136.52 80.49 1.82 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.83 -0.804 . . . . 75.340000000000003 108.83 173.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 p -100.15 77.6 2.0 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.553 0.692 . . . . 62.119999999999997 111.775 -174.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.1 m -93.55 83.56 4.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.707 -0.678 . . . . 62.009999999999998 109.347 173.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.4 m -126.78 111.2 13.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.152 0.501 . . . . 71.310000000000002 111.737 -174.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -170.24 94.93 0.24 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.131 -0.94 . . . . 73.209999999999994 109.045 174.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.9 60.54 0.53 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.916 -0.659 . . . . 70.340000000000003 112.227 -175.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.7 p -126.67 128.09 46.18 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.951 -0.388 . . . . 64.230000000000004 109.951 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.68 89.78 3.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.97 0.414 . . . . 60.210000000000001 110.702 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.9 tp -165.99 130.99 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.295 -0.411 . . . . 64.150000000000006 110.56 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -147.78 104.9 3.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.054 -0.521 . . . . 45.140000000000001 110.318 175.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 pt -110.1 88.62 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.449 0.642 . . . . 60.020000000000003 110.111 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.15 -22.55 74.41 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.448 -0.796 . . . . 63.420000000000002 112.71 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t 48.55 -165.64 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.274 1.029 . . . . 71.409999999999997 112.658 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.8 m -113.67 155.27 14.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.68 -0.691 . . . . 63.210000000000001 109.882 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 59.5 mt -80.17 85.33 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.029 0.443 . . . . 74.109999999999999 110.076 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.01 -58.3 3.7 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.441 -0.577 . . . . 53.100000000000001 109.441 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' HA ' ' OE1' ' A' ' 87' ' ' GLN . 4.1 t-20 66.96 109.69 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.062 -0.972 . . . . 64.120000000000005 113.379 169.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -147.96 -74.68 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.995 -0.548 . . . . 72.420000000000002 109.999 170.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -119.57 -174.53 2.76 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.347 -0.612 . . . . 71.430000000000007 109.347 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 76.8 m -111.48 -1.07 16.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.313 0.578 . . . . 74.120000000000005 109.955 173.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' A' ' 82' ' ' PHE . 61.1 m -114.95 120.33 39.55 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.473 -0.785 . . . . 72.230000000000004 110.635 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.593 ' HB2' ' HG3' ' A' ' 90' ' ' MET . 33.2 t -100.73 127.98 46.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.735 -0.469 . . . . 52.399999999999999 109.735 176.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -108.45 133.4 52.67 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.682 -0.488 . . . . 65.409999999999997 109.682 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -147.02 130.72 16.94 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.754 -0.657 . . . . 75.310000000000002 110.562 -174.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.635 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 71.8 p -135.07 131.11 36.59 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.134 -0.485 . . . . 64.319999999999993 110.112 175.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -130.22 142.97 50.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.127 -0.488 . . . . 73.409999999999997 109.975 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.439 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 60.4 m-85 -88.55 130.41 35.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.149 -0.478 . . . . 64.310000000000002 110.42 -178.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -123.85 170.75 10.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.038 -0.528 . . . . 75.310000000000002 109.998 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.449 ' O ' ' HA ' ' A' ' 75' ' ' GLN . . . -65.64 -59.45 3.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.031 0.443 . . . . 43.009999999999998 111.568 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.7 p -123.5 166.94 14.56 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.224 -0.444 . . . . 52.420000000000002 110.688 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 8.2 ppt_? -65.15 -22.53 66.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.112 0.482 . . . . 71.140000000000001 109.74 176.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.36 -46.45 88.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.381 -0.827 . . . . 70.0 110.202 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.11 -29.09 68.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.987 -1.006 . . . . 74.549999999999997 110.557 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -75.56 -43.08 50.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.882 -0.599 . . . . 64.209999999999994 110.624 -179.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 33.5 mt-10 -62.69 -40.67 97.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.905 -0.589 . . . . 71.129999999999995 109.711 176.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.6 m -64.36 -34.95 79.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.292 -0.867 . . . . 63.130000000000003 110.472 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.597 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 31.5 t80 -69.47 -50.58 44.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.233 -0.44 . . . . 74.420000000000002 109.915 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.518 ' HE2' HD11 ' A' ' 78' ' ' LEU . 38.6 tpp -56.43 -28.67 60.13 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.759 0.314 . . . . 71.140000000000001 111.387 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.5 m -57.0 -49.66 75.09 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.167 -0.47 . . . . 74.219999999999999 111.388 178.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 45' ' ' PHE . 19.8 ptmt -73.07 -27.31 61.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.543 -0.299 . . . . 72.510000000000005 111.295 -177.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.69 -41.38 95.04 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 110.433 -0.21 . . . . 73.409999999999997 110.433 175.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.3 -41.11 98.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.985 0.421 . . . . 73.310000000000002 110.921 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -61.34 -48.27 82.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.709 -0.678 . . . . 54.420000000000002 110.343 177.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.5 mt -67.29 -42.0 84.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.214 -0.903 . . . . 74.019999999999996 111.695 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.18 -42.7 91.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.458 -0.337 . . . . 54.210000000000001 111.613 -176.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.92 -34.53 78.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 64.510000000000005 111.66 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.17 -33.73 22.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.498 -0.319 . . . . 65.099999999999994 111.747 -178.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.68 -51.24 10.13 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.318 0.488 . . . . 64.239999999999995 112.318 -175.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.72 ' HB3' ' HD1' ' A' ' 84' ' ' PHE . 80.3 p -93.45 169.02 10.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.048 0.452 . . . . 71.230000000000004 111.498 -173.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -90.48 10.32 25.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.491 -0.777 . . . . 63.310000000000002 110.305 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.24 98.24 9.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.763 -0.653 . . . . 64.239999999999995 109.357 176.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.91 -31.14 71.91 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.314 -0.857 . . . . 54.299999999999997 112.254 -171.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -98.89 9.99 42.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.402 0.62 . . . . 65.340000000000003 110.052 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.32 142.56 9.0 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.708 -0.678 . . . . 65.430000000000007 112.397 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.35 152.69 43.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.402 -0.222 . . . . 71.200000000000003 110.402 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.72 ' HB2' ' HB ' ' A' ' 83' ' ' THR . 61.4 m -70.37 94.57 0.96 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.114 -0.494 . . . . 55.439999999999998 110.237 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 5.0 p -111.07 118.78 58.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.355 0.598 . . . . 63.210000000000001 111.586 -176.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.33 101.29 12.23 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.282 -1.007 . . . . 62.100000000000001 108.282 170.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 80' ' ' ALA . 54.3 p90 -121.83 159.78 26.05 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.94 0.4 . . . . 62.509999999999998 111.649 -172.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.505 ' HG2' ' HB3' ' A' ' 79' ' ' ASP . 9.7 ptpp? -143.29 150.34 39.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.618 -0.719 . . . . 74.239999999999995 109.872 175.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.4 HG12 HD23 ' A' ' 78' ' ' LEU . 66.5 mt -112.13 105.38 18.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 108.685 -0.857 . . . . 65.140000000000001 108.685 173.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.785 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -101.43 114.37 28.31 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.194 -0.602 . . . . 51.450000000000003 110.632 -175.281 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.74 ' HA ' HG12 ' A' ' 76' ' ' VAL . 5.0 p-10 -69.88 127.04 31.52 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.811 -1.086 . . . . 73.409999999999997 109.593 176.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.3 mt -116.97 -170.51 1.85 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.441 -0.577 . . . . 74.140000000000001 109.441 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -90.67 99.64 12.63 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.796 0.332 . . . . 70.409999999999997 110.261 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.25 14.07 72.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.214 -0.517 . . . . 70.340000000000003 112.449 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.449 ' HA ' ' O ' ' A' ' 37' ' ' ALA . 3.4 pt20 -174.98 -179.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.455 -0.572 . . . . 64.549999999999997 109.455 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.74 HG12 ' HA ' ' A' ' 71' ' ' ASP . 27.8 m -142.2 156.41 19.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.957 -0.386 . . . . 42.520000000000003 109.957 176.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -111.51 118.57 36.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.052 0.453 . . . . 64.019999999999996 110.247 173.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.635 ' O ' ' HA ' ' A' ' 33' ' ' SER . 3.2 tm? -90.97 109.95 21.19 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.231 -1.026 . . . . 70.420000000000002 108.231 173.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.505 ' HB3' ' HG2' ' A' ' 68' ' ' LYS . 18.0 t70 -115.87 135.19 54.23 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.696 -0.684 . . . . 74.310000000000002 109.86 -175.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . . . -149.05 140.01 22.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.99 0.424 . . . . 75.109999999999999 111.797 -177.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.502 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -115.69 109.22 17.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.777 -0.647 . . . . 71.349999999999994 109.882 173.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.526 ' O ' ' HA ' ' A' ' 29' ' ' THR . 71.6 m-85 -100.3 113.15 25.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.291 -0.413 . . . . 74.140000000000001 111.571 -176.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.72 ' HB ' ' HB2' ' A' ' 64' ' ' SER . 57.9 m -94.76 115.41 27.47 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.763 -0.458 . . . . 71.040000000000006 109.763 173.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.72 ' HD1' ' HB3' ' A' ' 57' ' ' SER . 92.4 m-85 -97.61 -177.63 3.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.24 -0.437 . . . . 63.210000000000001 110.71 -178.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 p -104.0 -14.31 15.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.905 0.383 . . . . 53.119999999999997 111.227 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.7 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 27.2 m -137.94 157.82 45.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.47 -0.332 . . . . 53.049999999999997 110.14 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.434 ' OE1' ' HA ' ' A' ' 25' ' ' ASN . 7.0 tp-100 -61.1 -49.97 75.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 73.219999999999999 110.937 177.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.568 ' O ' HG12 ' A' ' 92' ' ' ILE . . . -56.57 -42.84 79.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.69 -0.686 . . . . 73.409999999999997 110.886 -176.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.7 ' HG3' ' HB2' ' A' ' 86' ' ' CYS . 77.4 mt-10 -56.54 -29.94 62.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 71.099999999999994 111.501 -176.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.593 ' HG3' ' HB2' ' A' ' 30' ' ' SER . 52.4 ttp -73.96 -58.52 3.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.077 0.465 . . . . 63.340000000000003 110.457 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.422 ' H ' HG12 ' A' ' 91' ' ' ILE . 1.5 pt -68.4 -32.93 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 112.872 0.693 . . . . 63.210000000000001 112.872 -175.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.568 HG12 ' O ' ' A' ' 88' ' ' ALA . 35.9 pt -70.25 -30.48 43.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 120.563 -0.455 . . . . 73.409999999999997 109.93 176.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.603 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 46.4 t80 -64.49 -47.37 79.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.819 -0.628 . . . . 61.219999999999999 109.884 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 90' ' ' MET . 8.0 mt-10 -58.71 -41.79 87.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.712 -0.676 . . . . 72.420000000000002 110.19 178.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.17 -47.16 77.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.019 -0.537 . . . . 72.239999999999995 110.937 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -52.36 -41.8 63.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.44 -0.345 . . . . 74.129999999999995 111.163 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 93' ' ' PHE . 82.4 mt -57.36 -47.7 80.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.315 0.578 . . . . 74.519999999999996 110.854 178.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -77.31 -33.23 55.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.265 -0.88 . . . . 74.420000000000002 111.474 -174.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 m -78.74 -35.32 44.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.451 -0.341 . . . . 62.140000000000001 111.298 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 40.8 tp -70.04 -18.42 63.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.918 0.389 . . . . 74.540000000000006 110.76 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.18 -23.09 63.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.931 -0.577 . . . . 63.039999999999999 109.989 175.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 91.9 mt 64.39 -66.06 0.13 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.12 0.968 . . . . 62.310000000000002 112.735 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.0 -39.3 77.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.897 -0.592 . . . . 72.200000000000003 112.042 -174.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 42.3 m80 70.55 136.18 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.795 0.685 . . . . 51.5 110.928 -177.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -141.56 -65.66 0.42 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.59 -0.522 . . . . 75.219999999999999 109.59 177.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -83.98 112.06 19.83 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.583 -0.895 . . . . 72.530000000000001 108.583 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -79.66 115.06 19.05 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.284 0.846 . . . . 73.109999999999999 113.284 -167.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 70.02 11.4 7.65 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.454 -1.248 . . . . 75.540000000000006 113.254 166.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.9 m170 . . . . . 0 C--O 1.243 0.738 0 CA-C-O 118.353 -0.832 . . . . 64.040000000000006 110.174 176.564 . . . . . . . . 0 0 . 1 stop_ save_